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

1
Patents

140.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 126.4
[M+Na]+ 163.036568 142.3
[M-H]- 139.040074 131.2
[M+NH4]+ 158.081173 144.4
[M+K]+ 179.010508 137.0
[M+H-H2O]+ 123.044610 119.3
[M+HCOO]- 185.045551 145.0
[M+CH3COO]- 199.061201 181.3
[M+Na-2H]- 161.022016 134.1
[M]+ 140.04680142 126.6
[M]- 140.04789858 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

patents stripe