CID 135491025

O-(n-(hexahydro-1h-azepin-1-yl)forminidoyl)phenol

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCCN(CC1)/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C13H18N2O/c16-13-8-4-3-7-12(13)11-14-15-9-5-1-2-6-10-15/h3-4,7-8,11,16H,1-2,5-6,9-10H2/b14-11+
InChIKey
CEMKEHGRUBOXAS-SDNWHVSQSA-N
Compound name
2-[(E)-azepan-1-yliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.3
[M+Na]+ 241.13112 160.9
[M+NH4]+ 236.17572 158.7
[M+K]+ 257.10506 155.3
[M-H]- 217.13462 154.9
[M+Na-2H]- 239.11657 158.4
[M]+ 218.14135 153.5
[M]- 218.14245 153.5
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

No patent data available for this compound.