CID 165736737

2742657-81-2

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=C2)C(=O)O
InChI
InChI=1S/C13H19NO4/c1-12(2,3)18-11(17)14-5-4-13(8-14)6-9(7-13)10(15)16/h6H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKey
TUUMXKKXTFBZMS-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 158.9
[M+Na]+ 276.12063 163.5
[M-H]- 252.12413 161.8
[M+NH4]+ 271.16523 171.5
[M+K]+ 292.09457 165.4
[M+H-H2O]+ 236.12867 149.4
[M+HCOO]- 298.12961 174.3
[M+CH3COO]- 312.14526 192.6
[M+Na-2H]- 274.10608 160.4
[M]+ 253.13086 167.5
[M]- 253.13196 167.5
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.