CID 72824210

110110-58-2

Structural Information

Molecular Formula
C9H16ClNO4
SMILES
CC(C)(C)OC(=O)NCCC(C(=O)O)Cl
InChI
InChI=1S/C9H16ClNO4/c1-9(2,3)15-8(14)11-5-4-6(10)7(12)13/h6H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
SGEQRNMPTHZFLX-UHFFFAOYSA-N
Compound name
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.07678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08406 151.1
[M+Na]+ 260.06600 157.0
[M-H]- 236.06950 150.1
[M+NH4]+ 255.11060 168.8
[M+K]+ 276.03994 155.5
[M+H-H2O]+ 220.07404 147.5
[M+HCOO]- 282.07498 166.0
[M+CH3COO]- 296.09063 189.4
[M+Na-2H]- 258.05145 153.2
[M]+ 237.07623 154.5
[M]- 237.07733 154.5
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

patents stripe