CID 46941821

1204809-89-1

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1C=C(C2)C(=O)O
InChI
InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h6,9-10H,4-5,7H2,1-3H3,(H,15,16)
InChIKey
FDEKZKWYTOTCTN-UHFFFAOYSA-N
Compound name
8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

253.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 157.0
[M+Na]+ 276.12063 164.4
[M+NH4]+ 271.16523 163.0
[M+K]+ 292.09457 163.5
[M-H]- 252.12413 154.2
[M+Na-2H]- 274.10608 156.4
[M]+ 253.13086 156.8
[M]- 253.13196 156.8
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