CID 3020474

85168-97-4

Structural Information

Molecular Formula
C16H34N2O2
SMILES
CC(CNCC1(CC(CC(C1)(C)C)NCC(C)O)C)O
InChI
InChI=1S/C16H34N2O2/c1-12(19)8-17-11-16(5)7-14(18-9-13(2)20)6-15(3,4)10-16/h12-14,17-20H,6-11H2,1-5H3
InChIKey
JTURHGQTASTBFY-UHFFFAOYSA-N
Compound name
1-[[5-(2-hydroxypropylamino)-1,3,3-trimethylcyclohexyl]methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.26202 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.269296 172.0
[M+Na]+ 309.251238 174.0
[M-H]- 285.254744 171.6
[M+NH4]+ 304.295843 189.8
[M+K]+ 325.225178 172.2
[M+H-H2O]+ 269.259280 167.7
[M+HCOO]- 331.260221 187.2
[M+CH3COO]- 345.275871 206.0
[M+Na-2H]- 307.236686 172.1
[M]+ 286.26147142 168.1
[M]- 286.26256858 168.1
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.