CID 76519

3085-54-9

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=CC=C(C=C1)NC=O
InChI
InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10)
InChIKey
GRVKDWHXLFEVBP-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1083
Patents

135.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.0
[M+Na]+ 158.05764 138.9
[M+NH4]+ 153.10224 135.1
[M+K]+ 174.03158 132.1
[M-H]- 134.06114 129.0
[M+Na-2H]- 156.04309 134.0
[M]+ 135.06787 128.6
[M]- 135.06897 128.6
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