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]+ 254.138686 158.9
[M+Na]+ 276.120628 163.5
[M-H]- 252.124134 161.8
[M+NH4]+ 271.165233 171.5
[M+K]+ 292.094568 165.4
[M+H-H2O]+ 236.128670 149.4
[M+HCOO]- 298.129611 174.3
[M+CH3COO]- 312.145261 192.6
[M+Na-2H]- 274.106076 160.4
[M]+ 253.13086142 167.5
[M]- 253.13195858 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.