CID 126688593

2-{[(tert-butoxy)carbonyl](2-chloroethyl)amino}acetic acid

Structural Information

Molecular Formula
C9H16ClNO4
SMILES
CC(C)(C)OC(=O)N(CCCl)CC(=O)O
InChI
InChI=1S/C9H16ClNO4/c1-9(2,3)15-8(14)11(5-4-10)6-7(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKey
FKRAWNAYCUXJBU-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.07678 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08406 150.9
[M+Na]+ 260.06600 158.3
[M+NH4]+ 255.11060 156.1
[M+K]+ 276.03994 155.9
[M-H]- 236.06950 147.7
[M+Na-2H]- 258.05145 151.8
[M]+ 237.07623 150.9
[M]- 237.07733 150.9
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

patents stripe