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]+ 125.05971 121.9
[M+Na]+ 147.04165 137.0
[M-H]- 123.04515 126.2
[M+NH4]+ 142.08625 138.7
[M+K]+ 163.01559 131.2
[M+H-H2O]+ 107.04969 113.6
[M+HCOO]- 169.05063 140.6
[M+CH3COO]- 183.06628 180.0
[M+Na-2H]- 145.02710 128.7
[M]+ 124.05188 120.3
[M]- 124.05298 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