CID 97590

85136-11-4

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C)OC(=O)C1CCC(=O)N1
InChI
InChI=1S/C8H13NO3/c1-5(2)12-8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
IZHXNBPKBCUDOZ-UHFFFAOYSA-N
Compound name
propan-2-yl 5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

171.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.6
[M+Na]+ 194.07876 143.7
[M-H]- 170.08226 138.1
[M+NH4]+ 189.12336 157.5
[M+K]+ 210.05270 143.0
[M+H-H2O]+ 154.08680 131.9
[M+HCOO]- 216.08774 156.5
[M+CH3COO]- 230.10339 175.6
[M+Na-2H]- 192.06421 138.4
[M]+ 171.08899 135.4
[M]- 171.09009 135.4
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

patents stripe