CID 10986943

3541-31-9

Structural Information

Molecular Formula
C9H13NO3
SMILES
C=CC(=O)OCCN1CCCC1=O
InChI
InChI=1S/C9H13NO3/c1-2-9(12)13-7-6-10-5-3-4-8(10)11/h2H,1,3-7H2
InChIKey
GCRIIVPDNWHODP-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

183.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 139.8
[M+Na]+ 206.07876 146.5
[M-H]- 182.08226 141.5
[M+NH4]+ 201.12336 159.9
[M+K]+ 222.05270 145.4
[M+H-H2O]+ 166.08680 133.6
[M+HCOO]- 228.08774 161.1
[M+CH3COO]- 242.10339 179.5
[M+Na-2H]- 204.06421 141.8
[M]+ 183.08899 139.9
[M]- 183.09009 139.9
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