CID 4165812

N-(3,5-dimethylphenyl)formamide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC(=CC(=C1)NC=O)C
InChI
InChI=1S/C9H11NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-6H,1-2H3,(H,10,11)
InChIKey
LCESSMQSEVZGFQ-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

149.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.1
[M+Na]+ 172.07328 143.2
[M+NH4]+ 167.11788 139.1
[M+K]+ 188.04722 136.4
[M-H]- 148.07678 133.2
[M+Na-2H]- 170.05873 137.7
[M]+ 149.08351 132.8
[M]- 149.08461 132.8
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