CID 167725503

2919940-74-0

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]+ 146.117556 131.8
[M+Na]+ 168.099498 137.1
[M-H]- 144.103004 131.8
[M+NH4]+ 163.144103 153.2
[M+K]+ 184.073438 135.3
[M+H-H2O]+ 128.107540 127.6
[M+HCOO]- 190.108481 150.4
[M+CH3COO]- 204.124131 170.2
[M+Na-2H]- 166.084946 136.7
[M]+ 145.10973142 124.7
[M]- 145.11082858 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.