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

4
Patents

172.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 135.4
[M+Na]+ 195.062778 144.4
[M-H]- 171.066284 139.0
[M+NH4]+ 190.107383 150.5
[M+K]+ 211.036718 142.4
[M+H-H2O]+ 155.070820 130.0
[M+HCOO]- 217.071761 156.8
[M+CH3COO]- 231.087411 180.8
[M+Na-2H]- 193.048226 138.6
[M]+ 172.07301142 140.3
[M]- 172.07410858 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