CID 10682618

(s)-(3-n-boc-amino-2-oxo-pyrrolidin-1-yl)-acetic acid

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC(C)(C)OC(=O)N[C@H]1CCN(C1=O)CC(=O)O
InChI
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKey
UYBMLDXQOFMMED-ZETCQYMHSA-N
Compound name
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

258.12158 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 157.5
[M+Na]+ 281.11080 162.8
[M-H]- 257.11430 158.2
[M+NH4]+ 276.15540 173.8
[M+K]+ 297.08474 162.5
[M+H-H2O]+ 241.11884 151.8
[M+HCOO]- 303.11978 175.5
[M+CH3COO]- 317.13543 193.5
[M+Na-2H]- 279.09625 158.1
[M]+ 258.12103 157.7
[M]- 258.12213 157.7
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