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]+ 139.07536 127.2
[M+Na]+ 161.05730 142.8
[M-H]- 137.06080 131.9
[M+NH4]+ 156.10190 145.3
[M+K]+ 177.03124 137.0
[M+H-H2O]+ 121.06534 120.0
[M+HCOO]- 183.06628 145.3
[M+CH3COO]- 197.08193 182.2
[M+Na-2H]- 159.04275 134.4
[M]+ 138.06753 126.4
[M]- 138.06863 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.