CID 55290182

(3-aminocyclohexyl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC(CC(C1)N)CO
InChI
InChI=1S/C7H15NO/c8-7-3-1-2-6(4-7)5-9/h6-7,9H,1-5,8H2
InChIKey
DFMNUVOZLQPWTG-UHFFFAOYSA-N
Compound name
(3-aminocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

129.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.4
[M+Na]+ 152.10459 133.2
[M-H]- 128.10809 129.5
[M+NH4]+ 147.14919 149.2
[M+K]+ 168.07853 131.6
[M+H-H2O]+ 112.11263 123.2
[M+HCOO]- 174.11357 148.3
[M+CH3COO]- 188.12922 171.0
[M+Na-2H]- 150.09004 132.6
[M]+ 129.11482 121.4
[M]- 129.11592 121.4
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