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]+ 137.05971 134.7
[M+Na]+ 159.04165 152.6
[M-H]- 135.04515 142.6
[M+NH4]+ 154.08625 148.3
[M+K]+ 175.01559 145.3
[M+H-H2O]+ 119.04969 130.5
[M+HCOO]- 181.05063 151.7
[M+CH3COO]- 195.06628 191.1
[M+Na-2H]- 157.02710 141.9
[M]+ 136.05188 136.7
[M]- 136.05298 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.