CID 165461935

2138342-82-0

Structural Information

Molecular Formula
C8H8O2
SMILES
C1CC12CC2C#CC(=O)O
InChI
InChI=1S/C8H8O2/c9-7(10)2-1-6-5-8(6)3-4-8/h6H,3-5H2,(H,9,10)
InChIKey
KXDAHRNZEBHDIZ-UHFFFAOYSA-N
Compound name
3-spiro[2.2]pentan-2-ylprop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.059706 134.7
[M+Na]+ 159.041648 152.6
[M-H]- 135.045154 142.6
[M+NH4]+ 154.086253 148.3
[M+K]+ 175.015588 145.3
[M+H-H2O]+ 119.049690 130.5
[M+HCOO]- 181.050631 151.7
[M+CH3COO]- 195.066281 191.1
[M+Na-2H]- 157.027096 141.9
[M]+ 136.05188142 136.7
[M]- 136.05297858 136.7
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.