CID 43188620

2-(cyclopropylmethoxy)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C(=O)O)OCC1CC1
InChI
InChI=1S/C7H12O3/c1-5(7(8)9)10-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
MNKVYIQMSMWXSN-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.6
[M+Na]+ 167.067858 137.7
[M-H]- 143.071364 132.9
[M+NH4]+ 162.112463 145.4
[M+K]+ 183.041798 136.4
[M+H-H2O]+ 127.075900 124.1
[M+HCOO]- 189.076841 150.9
[M+CH3COO]- 203.092491 176.4
[M+Na-2H]- 165.053306 133.9
[M]+ 144.07809142 133.0
[M]- 144.07918858 133.0
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