CID 138039581

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 121.3
[M+Na]+ 163.03657 129.6
[M-H]- 139.04007 123.6
[M+NH4]+ 158.08117 134.9
[M+K]+ 179.01051 132.5
[M+H-H2O]+ 123.04461 107.7
[M+HCOO]- 185.04555 135.9
[M+CH3COO]- 199.06120 180.8
[M+Na-2H]- 161.02202 127.9
[M]+ 140.04680 124.2
[M]- 140.04790 124.2
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.