CID 71643

Nsc631457

Structural Information

Molecular Formula
C14H13NO
SMILES
C1=CC=C(C=C1)CN=CC2=CC=CC=C2O
InChI
InChI=1S/C14H13NO/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-9,11,16H,10H2
InChIKey
LPSMMAHYAIVSQW-UHFFFAOYSA-N
Compound name
2-(benzyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

56
Patents

211.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 145.8
[M+Na]+ 234.088938 152.9
[M-H]- 210.092444 152.5
[M+NH4]+ 229.133543 164.1
[M+K]+ 250.062878 148.8
[M+H-H2O]+ 194.096980 138.3
[M+HCOO]- 256.097921 171.7
[M+CH3COO]- 270.113571 188.5
[M+Na-2H]- 232.074386 153.6
[M]+ 211.09917142 145.2
[M]- 211.10026858 145.2
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