CID 16076767

N'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n-(3-ethoxypropyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C17H34N2O
SMILES
CCOCCCNCCNC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C17H34N2O/c1-4-20-11-5-8-18-9-10-19-13-14-6-7-15-12-16(14)17(15,2)3/h14-16,18-19H,4-13H2,1-3H3/t14-,15-,16-/m0/s1
InChIKey
IDWYQJRCVZUKQG-JYJNAYRXSA-N
Compound name
N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N-(3-ethoxypropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.26712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.27440 184.3
[M+Na]+ 305.25634 184.9
[M-H]- 281.25984 181.7
[M+NH4]+ 300.30094 199.3
[M+K]+ 321.23028 185.2
[M+H-H2O]+ 265.26438 173.7
[M+HCOO]- 327.26532 196.8
[M+CH3COO]- 341.28097 216.1
[M+Na-2H]- 303.24179 190.2
[M]+ 282.26657 196.8
[M]- 282.26767 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.