CID 121428698

183108-16-9

Structural Information

Molecular Formula
C10H16ClNO4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)Cl
InChI
InChI=1S/C10H16ClNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey
KTIQMTDKFOWAFE-BQBZGAKWSA-N
Compound name
(2S,4S)-4-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.07678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08406 153.8
[M+Na]+ 272.06600 161.2
[M-H]- 248.06950 154.8
[M+NH4]+ 267.11060 172.0
[M+K]+ 288.03994 159.1
[M+H-H2O]+ 232.07404 149.6
[M+HCOO]- 294.07498 166.2
[M+CH3COO]- 308.09063 187.8
[M+Na-2H]- 270.05145 153.8
[M]+ 249.07623 155.5
[M]- 249.07733 155.5
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