CID 119081961

1029321-01-4

Structural Information

Molecular Formula
C9H14ClNO5
SMILES
COC(=O)CC[C@H](C(=O)OC)NC(=O)CCl
InChI
InChI=1S/C9H14ClNO5/c1-15-8(13)4-3-6(9(14)16-2)11-7(12)5-10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKey
SRCLSPUIVVNWBH-ZCFIWIBFSA-N
Compound name
dimethyl (2R)-2-[(2-chloroacetyl)amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05605 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06333 152.0
[M+Na]+ 274.04527 158.0
[M-H]- 250.04877 152.2
[M+NH4]+ 269.08987 169.6
[M+K]+ 290.01921 157.3
[M+H-H2O]+ 234.05331 147.5
[M+HCOO]- 296.05425 169.5
[M+CH3COO]- 310.06990 193.7
[M+Na-2H]- 272.03072 152.8
[M]+ 251.05550 158.0
[M]- 251.05660 158.0
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.