CID 22500548

741269-02-3

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1/C=C/C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)/b7-6+
InChIKey
WVZOWSAYQHINTR-VOTSOKGWSA-N
Compound name
(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 157.0
[M+Na]+ 264.12063 162.3
[M-H]- 240.12413 157.3
[M+NH4]+ 259.16523 174.3
[M+K]+ 280.09457 161.1
[M+H-H2O]+ 224.12867 151.5
[M+HCOO]- 286.12961 173.5
[M+CH3COO]- 300.14526 187.2
[M+Na-2H]- 262.10608 156.9
[M]+ 241.13086 156.4
[M]- 241.13196 156.4
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