CID 65653068

[1-(aminomethyl)-4-methylcyclohexyl]methanol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1CCC(CC1)(CN)CO
InChI
InChI=1S/C9H19NO/c1-8-2-4-9(6-10,7-11)5-3-8/h8,11H,2-7,10H2,1H3
InChIKey
OAYAXJWNGBOQSA-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-4-methylcyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.0
[M+Na]+ 180.13589 141.9
[M-H]- 156.13939 138.2
[M+NH4]+ 175.18049 158.8
[M+K]+ 196.10983 140.1
[M+H-H2O]+ 140.14393 132.4
[M+HCOO]- 202.14487 156.3
[M+CH3COO]- 216.16052 176.7
[M+Na-2H]- 178.12134 141.3
[M]+ 157.14612 131.1
[M]- 157.14722 131.1
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.