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]+ 158.153946 137.0
[M+Na]+ 180.135888 141.9
[M-H]- 156.139394 138.2
[M+NH4]+ 175.180493 158.8
[M+K]+ 196.109828 140.1
[M+H-H2O]+ 140.143930 132.4
[M+HCOO]- 202.144871 156.3
[M+CH3COO]- 216.160521 176.7
[M+Na-2H]- 178.121336 141.3
[M]+ 157.14612142 131.1
[M]- 157.14721858 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.