CID 46835727

1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1(CCCC(C1)(CN)O)C
InChI
InChI=1S/C9H19NO/c1-8(2)4-3-5-9(11,6-8)7-10/h11H,3-7,10H2,1-2H3
InChIKey
MLZLVMCHKUSCQC-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 135.8
[M+Na]+ 180.135888 141.7
[M-H]- 156.139394 137.5
[M+NH4]+ 175.180493 159.6
[M+K]+ 196.109828 140.2
[M+H-H2O]+ 140.143930 132.3
[M+HCOO]- 202.144871 155.1
[M+CH3COO]- 216.160521 176.5
[M+Na-2H]- 178.121336 141.4
[M]+ 157.14612142 130.4
[M]- 157.14721858 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