CID 11844233

1429218-41-6

Structural Information

Molecular Formula
C8H14N2O3
SMILES
COC(=O)[C@H](C[C@@H]1CCNC1=O)N
InChI
InChI=1S/C8H14N2O3/c1-13-8(12)6(9)4-5-2-3-10-7(5)11/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKey
ZRXQTUVXCKSWQD-WDSKDSINSA-N
Compound name
methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

186.10045 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 141.8
[M+Na]+ 209.08967 146.9
[M-H]- 185.09317 141.7
[M+NH4]+ 204.13427 160.4
[M+K]+ 225.06361 145.9
[M+H-H2O]+ 169.09771 135.4
[M+HCOO]- 231.09865 161.0
[M+CH3COO]- 245.11430 180.0
[M+Na-2H]- 207.07512 141.9
[M]+ 186.09990 137.8
[M]- 186.10100 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe