CID 80654

N-benzylformamide

Structural Information

Molecular Formula
C8H9NO
SMILES
C1=CC=C(C=C1)CNC=O
InChI
InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
InChIKey
IIBOGKHTXBPGEI-UHFFFAOYSA-N
Compound name
N-benzylformamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

6448
Patents

135.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.0
[M+Na]+ 158.057638 132.3
[M-H]- 134.061144 128.7
[M+NH4]+ 153.102243 146.5
[M+K]+ 174.031578 130.5
[M+H-H2O]+ 118.065680 119.3
[M+HCOO]- 180.066621 151.5
[M+CH3COO]- 194.082271 174.2
[M+Na-2H]- 156.043086 134.2
[M]+ 135.06787142 124.6
[M]- 135.06896858 124.6
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