CID 14260839

Methyl 2-(2-chloroacetamido)-3-methylpentanoate

Structural Information

Molecular Formula
C9H16ClNO3
SMILES
CCC(C)C(C(=O)OC)NC(=O)CCl
InChI
InChI=1S/C9H16ClNO3/c1-4-6(2)8(9(13)14-3)11-7(12)5-10/h6,8H,4-5H2,1-3H3,(H,11,12)
InChIKey
OKGVNNSSLBGHND-UHFFFAOYSA-N
Compound name
methyl 2-[(2-chloroacetyl)amino]-3-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08188 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08916 149.1
[M+Na]+ 244.07110 154.8
[M-H]- 220.07460 149.2
[M+NH4]+ 239.11570 168.0
[M+K]+ 260.04504 153.7
[M+H-H2O]+ 204.07914 144.9
[M+HCOO]- 266.08008 165.8
[M+CH3COO]- 280.09573 191.1
[M+Na-2H]- 242.05655 149.5
[M]+ 221.08133 152.9
[M]- 221.08243 152.9
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.