CID 170913713

3-(1-methoxycyclopropyl)prop-2-ynoic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
COC1(CC1)C#CC(=O)O
InChI
InChI=1S/C7H8O3/c1-10-7(4-5-7)3-2-6(8)9/h4-5H2,1H3,(H,8,9)
InChIKey
DVASJKVFMHCQAA-UHFFFAOYSA-N
Compound name
3-(1-methoxycyclopropyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 126.4
[M+Na]+ 163.03657 142.3
[M-H]- 139.04007 131.2
[M+NH4]+ 158.08117 144.4
[M+K]+ 179.01051 137.0
[M+H-H2O]+ 123.04461 119.3
[M+HCOO]- 185.04555 145.0
[M+CH3COO]- 199.06120 181.3
[M+Na-2H]- 161.02202 134.1
[M]+ 140.04680 126.6
[M]- 140.04790 126.6
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.