CID 145908100

2106639-41-0

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)C1(CC1)CC(=O)O
InChI
InChI=1S/C7H10O4/c1-11-6(10)7(2-3-7)4-5(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
VOTNTGATTLAURM-UHFFFAOYSA-N
Compound name
2-(1-methoxycarbonylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.8
[M+Na]+ 181.04712 141.9
[M-H]- 157.05062 136.5
[M+NH4]+ 176.09172 149.9
[M+K]+ 197.02106 141.2
[M+H-H2O]+ 141.05516 128.7
[M+HCOO]- 203.05610 154.0
[M+CH3COO]- 217.07175 176.4
[M+Na-2H]- 179.03257 138.1
[M]+ 158.05735 137.3
[M]- 158.05845 137.3
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

No patent data available for this compound.