CID 544863

(2-aminocyclohexyl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CCC(C(C1)CO)N
InChI
InChI=1S/C7H15NO/c8-7-4-2-1-3-6(7)5-9/h6-7,9H,1-5,8H2
InChIKey
GCWPGEWXYDEQAY-UHFFFAOYSA-N
Compound name
(2-aminocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

540
Patents

129.11537 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe