CID 80425

4-methyl-n,n'-m-phenylenediformamide

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=C(C=C(C=C1)NC=O)NC=O
InChI
InChI=1S/C9H10N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-6H,1H3,(H,10,12)(H,11,13)
InChIKey
YRNQKAIOPGZNHZ-UHFFFAOYSA-N
Compound name
N-(3-formamido-4-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 134.9
[M+Na]+ 201.063448 142.9
[M-H]- 177.066954 139.1
[M+NH4]+ 196.108053 154.6
[M+K]+ 217.037388 140.7
[M+H-H2O]+ 161.071490 128.6
[M+HCOO]- 223.072431 162.3
[M+CH3COO]- 237.088081 185.8
[M+Na-2H]- 199.048896 142.3
[M]+ 178.07368142 135.5
[M]- 178.07477858 135.5
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