CID 64535368

4-cyclopropylbut-2-ynoic acid

Structural Information

Molecular Formula
C7H8O2
SMILES
C1CC1CC#CC(=O)O
InChI
InChI=1S/C7H8O2/c8-7(9)3-1-2-6-4-5-6/h6H,2,4-5H2,(H,8,9)
InChIKey
FVKOLNVCRALDMU-UHFFFAOYSA-N
Compound name
4-cyclopropylbut-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

124.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 121.9
[M+Na]+ 147.041648 137.0
[M-H]- 123.045154 126.2
[M+NH4]+ 142.086253 138.7
[M+K]+ 163.015588 131.2
[M+H-H2O]+ 107.049690 113.6
[M+HCOO]- 169.050631 140.6
[M+CH3COO]- 183.066281 180.0
[M+Na-2H]- 145.027096 128.7
[M]+ 124.05188142 120.3
[M]- 124.05297858 120.3
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

patents stripe