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
trans-(1R,2R)-2-methoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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

No literature data available for this compound.

Patent stripe

patents stripe