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

2
Patents

124.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 122.9
[M+Na]+ 147.04165 138.7
[M-H]- 123.04515 127.7
[M+NH4]+ 142.08625 141.4
[M+K]+ 163.01559 133.1
[M+H-H2O]+ 107.04969 115.9
[M+HCOO]- 169.05063 141.3
[M+CH3COO]- 183.06628 180.7
[M+Na-2H]- 145.02710 130.7
[M]+ 124.05188 122.0
[M]- 124.05298 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