CID 80173191

3-(2-methyloxolan-2-yl)prop-2-ynoic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
CC1(CCCO1)C#CC(=O)O
InChI
InChI=1S/C8H10O3/c1-8(4-2-6-11-8)5-3-7(9)10/h2,4,6H2,1H3,(H,9,10)
InChIKey
RHBDGAWPYLUHKN-UHFFFAOYSA-N
Compound name
3-(2-methyloxolan-2-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 131.8
[M+Na]+ 177.052208 141.6
[M-H]- 153.055714 133.4
[M+NH4]+ 172.096813 152.1
[M+K]+ 193.026148 139.0
[M+H-H2O]+ 137.060250 121.8
[M+HCOO]- 199.061191 146.9
[M+CH3COO]- 213.076841 178.4
[M+Na-2H]- 175.037656 136.4
[M]+ 154.06244142 125.4
[M]- 154.06353858 125.4
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