CID 130958791

1936583-41-3

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC=C)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-5-6-12(9(14)15)7-13(8-12)10(16)17-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,14,15)
InChIKey
RYVFABKHPULMNH-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 158.6
[M+Na]+ 264.12063 163.3
[M-H]- 240.12413 159.2
[M+NH4]+ 259.16523 169.7
[M+K]+ 280.09457 165.5
[M+H-H2O]+ 224.12867 149.1
[M+HCOO]- 286.12961 173.7
[M+CH3COO]- 300.14526 192.4
[M+Na-2H]- 262.10608 160.5
[M]+ 241.13086 168.6
[M]- 241.13196 168.6
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.