CID 165966214

2-methoxy-2-(1-methylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(CC1)C(C(=O)O)OC
InChI
InChI=1S/C7H12O3/c1-7(3-4-7)5(10-2)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
ZBNLQVFEXJYIRB-UHFFFAOYSA-N
Compound name
2-methoxy-2-(1-methylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.1
[M+Na]+ 167.06786 139.0
[M-H]- 143.07136 133.8
[M+NH4]+ 162.11246 147.9
[M+K]+ 183.04180 138.5
[M+H-H2O]+ 127.07590 126.1
[M+HCOO]- 189.07684 151.0
[M+CH3COO]- 203.09249 175.9
[M+Na-2H]- 165.05331 135.5
[M]+ 144.07809 134.0
[M]- 144.07919 134.0
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

No patent data available for this compound.