CID 115050524

1889136-24-6

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(=O)CC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-9(15)7-13(10(16)17)5-6-14(8-13)11(18)19-12(2,3)4/h5-8H2,1-4H3,(H,16,17)
InChIKey
PQXTUIQZLHZLEB-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-oxopropyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 161.2
[M+Na]+ 294.13119 166.5
[M-H]- 270.13469 161.7
[M+NH4]+ 289.17579 179.2
[M+K]+ 310.10513 166.5
[M+H-H2O]+ 254.13923 157.0
[M+HCOO]- 316.14017 176.6
[M+CH3COO]- 330.15582 193.5
[M+Na-2H]- 292.11664 161.4
[M]+ 271.14142 162.4
[M]- 271.14252 162.4
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

No patent data available for this compound.