CID 32865

25295-39-0

Structural Information

Molecular Formula
C18H33N3
SMILES
CCCCCCCCNCC(CN(C)C)C1=CC=CC=N1
InChI
InChI=1S/C18H33N3/c1-4-5-6-7-8-10-13-19-15-17(16-21(2)3)18-12-9-11-14-20-18/h9,11-12,14,17,19H,4-8,10,13,15-16H2,1-3H3
InChIKey
ZZRXJWWZZLIZNB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-octyl-2-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.26746 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.27474 178.0
[M+Na]+ 314.25668 179.6
[M-H]- 290.26018 179.7
[M+NH4]+ 309.30128 192.0
[M+K]+ 330.23062 177.1
[M+H-H2O]+ 274.26472 168.5
[M+HCOO]- 336.26566 199.7
[M+CH3COO]- 350.28131 215.1
[M+Na-2H]- 312.24213 180.1
[M]+ 291.26691 180.8
[M]- 291.26801 180.8
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.