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

13
Patents

130.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 125.2
[M+Na]+ 153.05221 133.8
[M-H]- 129.05571 128.8
[M+NH4]+ 148.09681 141.7
[M+K]+ 169.02615 132.7
[M+H-H2O]+ 113.06025 119.9
[M+HCOO]- 175.06119 146.9
[M+CH3COO]- 189.07684 173.5
[M+Na-2H]- 151.03766 130.1
[M]+ 130.06244 128.3
[M]- 130.06354 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