CID 167725503

Rac-(1s,4s)-1-(aminomethyl)cyclohexane-1,4-diol hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1CC(CCC1O)(CN)O
InChI
InChI=1S/C7H15NO2/c8-5-7(10)3-1-6(9)2-4-7/h6,9-10H,1-5,8H2
InChIKey
DJBUGWKCWQYVCV-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclohexane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 131.8
[M+Na]+ 168.09950 137.1
[M-H]- 144.10300 131.8
[M+NH4]+ 163.14410 153.2
[M+K]+ 184.07344 135.3
[M+H-H2O]+ 128.10754 127.6
[M+HCOO]- 190.10848 150.4
[M+CH3COO]- 204.12413 170.2
[M+Na-2H]- 166.08495 136.7
[M]+ 145.10973 124.7
[M]- 145.11083 124.7
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.