CID 79423524

1391828-77-5

Structural Information

Molecular Formula
C7H8O2
SMILES
C#CCC1(CC1)C(=O)O
InChI
InChI=1S/C7H8O2/c1-2-3-7(4-5-7)6(8)9/h1H,3-5H2,(H,8,9)
InChIKey
QNGPYYNFFGUMLM-UHFFFAOYSA-N
Compound name
1-prop-2-ynylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

124.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 122.9
[M+Na]+ 147.041648 138.7
[M-H]- 123.045154 127.7
[M+NH4]+ 142.086253 141.4
[M+K]+ 163.015588 133.1
[M+H-H2O]+ 107.049690 115.9
[M+HCOO]- 169.050631 141.3
[M+CH3COO]- 183.066281 180.7
[M+Na-2H]- 145.027096 130.7
[M]+ 124.05188142 122.0
[M]- 124.05297858 122.0
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