CID 135491025

Phenol, o-(n-(hexahydro-1h-azepin-1-yl)formimidoyl)-

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]+ 219.149176 148.4
[M+Na]+ 241.131118 151.2
[M-H]- 217.134624 153.7
[M+NH4]+ 236.175723 163.7
[M+K]+ 257.105058 152.7
[M+H-H2O]+ 201.139160 140.6
[M+HCOO]- 263.140101 168.2
[M+CH3COO]- 277.155751 190.5
[M+Na-2H]- 239.116566 153.3
[M]+ 218.14135142 140.8
[M]- 218.14244858 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.