CID 65682189

2-cyclopropyl-2-methoxyacetic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
COC(C1CC1)C(=O)O
InChI
InChI=1S/C6H10O3/c1-9-5(6(7)8)4-2-3-4/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
ISDDZOLMHDDAKN-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

130.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 125.2
[M+Na]+ 153.052208 133.8
[M-H]- 129.055714 128.8
[M+NH4]+ 148.096813 141.7
[M+K]+ 169.026148 132.7
[M+H-H2O]+ 113.060250 119.9
[M+HCOO]- 175.061191 146.9
[M+CH3COO]- 189.076841 173.5
[M+Na-2H]- 151.037656 130.1
[M]+ 130.06244142 128.3
[M]- 130.06353858 128.3
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