CID 2800987

2,3-dimethylbenzamide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=C(C(=CC=C1)C(=O)N)C
InChI
InChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChIKey
IZAYISYTIWLBNB-UHFFFAOYSA-N
Compound name
2,3-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1598
Patents

149.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.6
[M+Na]+ 172.07328 143.1
[M+NH4]+ 167.11788 139.3
[M+K]+ 188.04722 137.2
[M-H]- 148.07678 133.3
[M+Na-2H]- 170.05873 137.3
[M]+ 149.08351 133.1
[M]- 149.08461 133.1
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