CID 23515090

1-methoxycyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
COC1(CCC1)C(=O)O
InChI
InChI=1S/C6H10O3/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKey
ZKGYKYOWKFMUGF-UHFFFAOYSA-N
Compound name
1-methoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

130.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 124.9
[M+Na]+ 153.05221 130.7
[M-H]- 129.05571 127.4
[M+NH4]+ 148.09681 141.4
[M+K]+ 169.02615 133.8
[M+H-H2O]+ 113.06025 116.5
[M+HCOO]- 175.06119 145.3
[M+CH3COO]- 189.07684 171.7
[M+Na-2H]- 151.03766 131.0
[M]+ 130.06244 133.3
[M]- 130.06354 133.3
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