CID 11240459

3-aminocyclohexanol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(CC(C1)O)N
InChI
InChI=1S/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2
InChIKey
NIQIPYGXPZUDDP-UHFFFAOYSA-N
Compound name
3-aminocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1403
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 123.9
[M+Na]+ 138.08894 129.1
[M-H]- 114.09244 125.2
[M+NH4]+ 133.13354 145.2
[M+K]+ 154.06288 127.8
[M+H-H2O]+ 98.096980 118.9
[M+HCOO]- 160.09792 144.1
[M+CH3COO]- 174.11357 167.9
[M+Na-2H]- 136.07439 128.6
[M]+ 115.09917 116.5
[M]- 115.10027 116.5
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