CID 86940

17084-40-1

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CCC(CC1)N=CC2=CC=CC=C2O
InChI
InChI=1S/C13H17NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h4-6,9-10,12,15H,1-3,7-8H2
InChIKey
QLWOGCDDZGSXDU-UHFFFAOYSA-N
Compound name
2-(cyclohexyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

203.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.5
[M+Na]+ 226.12023 149.9
[M-H]- 202.12373 151.3
[M+NH4]+ 221.16483 163.9
[M+K]+ 242.09417 146.7
[M+H-H2O]+ 186.12827 138.2
[M+HCOO]- 248.12921 167.4
[M+CH3COO]- 262.14486 186.5
[M+Na-2H]- 224.10568 150.8
[M]+ 203.13046 140.3
[M]- 203.13156 140.3
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