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 148.4
[M+Na]+ 241.13112 151.2
[M-H]- 217.13462 153.7
[M+NH4]+ 236.17572 163.7
[M+K]+ 257.10506 152.7
[M+H-H2O]+ 201.13916 140.6
[M+HCOO]- 263.14010 168.2
[M+CH3COO]- 277.15575 190.5
[M+Na-2H]- 239.11657 153.3
[M]+ 218.14135 140.8
[M]- 218.14245 140.8
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.