CID 42920711

Methyl 4-[(2-chloropropanamido)methyl]benzoate

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)Cl
InChI
InChI=1S/C12H14ClNO3/c1-8(13)11(15)14-7-9-3-5-10(6-4-9)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKey
IZDWLSJOGMNKOY-UHFFFAOYSA-N
Compound name
methyl 4-[(2-chloropropanoylamino)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06622 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 155.0
[M+Na]+ 278.05544 166.0
[M+NH4]+ 273.10004 161.9
[M+K]+ 294.02938 160.8
[M-H]- 254.05894 156.0
[M+Na-2H]- 276.04089 159.9
[M]+ 255.06567 156.8
[M]- 255.06677 156.8
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.