CID 165999210

Rac-2-[(1r,2r)-2-(methoxycarbonyl)cyclobutyl]acetic acid, cis

Structural Information

Molecular Formula
C8H12O4
SMILES
COC(=O)[C@@H]1CC[C@@H]1CC(=O)O
InChI
InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(6)4-7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1
InChIKey
XKEKCFWLAISBIY-PHDIDXHHSA-N
Compound name
2-[(1R,2R)-2-methoxycarbonylcyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.2
[M+Na]+ 195.06278 139.9
[M-H]- 171.06628 137.2
[M+NH4]+ 190.10738 148.1
[M+K]+ 211.03672 143.0
[M+H-H2O]+ 155.07082 124.9
[M+HCOO]- 217.07176 154.3
[M+CH3COO]- 231.08741 180.5
[M+Na-2H]- 193.04823 137.1
[M]+ 172.07301 144.2
[M]- 172.07411 144.2
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.