CID 39871613

1401103-71-6

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)C1CC(C1)C(=O)O
InChI
InChI=1S/C7H10O4/c1-11-7(10)5-2-4(3-5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey
AJAHGOJIRQOMLK-UHFFFAOYSA-N
Compound name
3-methoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 130.4
[M+Na]+ 181.047118 135.6
[M-H]- 157.050624 132.6
[M+NH4]+ 176.091723 143.9
[M+K]+ 197.021058 138.9
[M+H-H2O]+ 141.055160 120.4
[M+HCOO]- 203.056101 149.8
[M+CH3COO]- 217.071751 177.6
[M+Na-2H]- 179.032566 132.9
[M]+ 158.05735142 139.1
[M]- 158.05844858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe