CID 92042975

887590-70-7

Structural Information

Molecular Formula
C8H10O2
SMILES
C#CC1(CCCC1)C(=O)O
InChI
InChI=1S/C8H10O2/c1-2-8(7(9)10)5-3-4-6-8/h1H,3-6H2,(H,9,10)
InChIKey
YUWTVUGVKFNSFZ-UHFFFAOYSA-N
Compound name
1-ethynylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 132.0
[M+Na]+ 161.05730 141.6
[M-H]- 137.06080 133.1
[M+NH4]+ 156.10190 153.9
[M+K]+ 177.03124 137.4
[M+H-H2O]+ 121.06534 122.0
[M+HCOO]- 183.06628 147.5
[M+CH3COO]- 197.08193 177.9
[M+Na-2H]- 159.04275 135.3
[M]+ 138.06753 123.8
[M]- 138.06863 123.8
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

No patent data available for this compound.