CID 12610333

31420-60-7

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)[C@@H]1CC[C@H]1C(=O)O
InChI
InChI=1S/C7H10O4/c1-11-7(10)5-3-2-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
DLSMGFKPSMYVFW-RFZPGFLSSA-N
Compound name
(1R,2R)-2-methoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 130.4
[M+Na]+ 181.04712 135.6
[M-H]- 157.05062 132.6
[M+NH4]+ 176.09172 143.9
[M+K]+ 197.02106 138.9
[M+H-H2O]+ 141.05516 120.4
[M+HCOO]- 203.05610 149.8
[M+CH3COO]- 217.07175 177.6
[M+Na-2H]- 179.03257 132.9
[M]+ 158.05735 139.1
[M]- 158.05845 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

No literature data available for this compound.

Patent stripe

patents stripe