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
2
Annotation Hits

1
References

175
Patents

171.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.6
[M+Na]+ 194.078758 143.7
[M-H]- 170.082264 138.1
[M+NH4]+ 189.123363 157.5
[M+K]+ 210.052698 143.0
[M+H-H2O]+ 154.086800 131.9
[M+HCOO]- 216.087741 156.5
[M+CH3COO]- 230.103391 175.6
[M+Na-2H]- 192.064206 138.4
[M]+ 171.08899142 135.4
[M]- 171.09008858 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