CID 4249210

3'-chloro-o-propionotoluidide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CCC(=O)NC1=C(C(=CC=C1)Cl)C
InChI
InChI=1S/C10H12ClNO/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
SNNCKESIIASLFW-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 140.7
[M+Na]+ 220.04997 154.1
[M+NH4]+ 215.09457 149.6
[M+K]+ 236.02391 146.9
[M-H]- 196.05347 143.5
[M+Na-2H]- 218.03542 147.7
[M]+ 197.06020 143.6
[M]- 197.06130 143.6
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

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