CID 154577407

120034-69-7

Structural Information

Molecular Formula
C8H12O4
SMILES
CCOC(=O)[C@@H]1C[C@H]1CC(=O)O
InChI
InChI=1S/C8H12O4/c1-2-12-8(11)6-3-5(6)4-7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKey
ITQVRJZDONRTAD-NTSWFWBYSA-N
Compound name
2-[(1S,2R)-2-ethoxycarbonylcyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.4
[M+Na]+ 195.06278 144.4
[M-H]- 171.06628 139.0
[M+NH4]+ 190.10738 150.5
[M+K]+ 211.03672 142.4
[M+H-H2O]+ 155.07082 130.0
[M+HCOO]- 217.07176 156.8
[M+CH3COO]- 231.08741 180.8
[M+Na-2H]- 193.04823 138.6
[M]+ 172.07301 140.3
[M]- 172.07411 140.3
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