CID 3039766

4-amino-1-phenylcyclohexan-1-ol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC(CCC1N)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2
InChIKey
IUECPDWEFSCXJG-UHFFFAOYSA-N
Compound name
4-amino-1-phenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

191.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 148.6
[M-H]- 190.12373 147.9
[M+NH4]+ 209.16483 163.5
[M+K]+ 230.09417 145.3
[M+H-H2O]+ 174.12827 137.4
[M+HCOO]- 236.12921 163.4
[M+CH3COO]- 250.14486 181.4
[M+Na-2H]- 212.10568 148.8
[M]+ 191.13046 136.2
[M]- 191.13156 136.2
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