CID 71434863

3-(1-ethylcyclopropyl)prop-2-ynoic acid

Structural Information

Molecular Formula
C8H10O2
SMILES
CCC1(CC1)C#CC(=O)O
InChI
InChI=1S/C8H10O2/c1-2-8(5-6-8)4-3-7(9)10/h2,5-6H2,1H3,(H,9,10)
InChIKey
ZLZYIAKHQVHADF-UHFFFAOYSA-N
Compound name
3-(1-ethylcyclopropyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 127.2
[M+Na]+ 161.057298 142.8
[M-H]- 137.060804 131.9
[M+NH4]+ 156.101903 145.3
[M+K]+ 177.031238 137.0
[M+H-H2O]+ 121.065340 120.0
[M+HCOO]- 183.066281 145.3
[M+CH3COO]- 197.081931 182.2
[M+Na-2H]- 159.042746 134.4
[M]+ 138.06753142 126.4
[M]- 138.06862858 126.4
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.