CID 3060533

C 3162

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CCNC
InChI
InChI=1S/C11H15ClN2O/c1-8-4-3-5-9(12)11(8)14-10(15)6-7-13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKey
MPXJLNQMQVNAGV-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-3-(methylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.094576 150.5
[M+Na]+ 249.076518 158.1
[M-H]- 225.080024 154.2
[M+NH4]+ 244.121123 169.4
[M+K]+ 265.050458 154.0
[M+H-H2O]+ 209.084560 145.1
[M+HCOO]- 271.085501 171.4
[M+CH3COO]- 285.101151 194.6
[M+Na-2H]- 247.061966 155.0
[M]+ 226.08675142 152.5
[M]- 226.08784858 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.