CID 59845710

1-(aminomethyl)-4,4-dimethylcyclohexan-1-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1(CCC(CC1)(CN)O)C
InChI
InChI=1S/C9H19NO/c1-8(2)3-5-9(11,7-10)6-4-8/h11H,3-7,10H2,1-2H3
InChIKey
IGNIQYQEYLIVJD-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-4,4-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.14667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 135.8
[M+Na]+ 180.13589 141.7
[M-H]- 156.13939 137.5
[M+NH4]+ 175.18049 159.6
[M+K]+ 196.10983 140.2
[M+H-H2O]+ 140.14393 132.3
[M+HCOO]- 202.14487 155.1
[M+CH3COO]- 216.16052 176.5
[M+Na-2H]- 178.12134 141.4
[M]+ 157.14612 130.4
[M]- 157.14722 130.4
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

patents stripe