CID 28065012

67567-55-9

Structural Information

Molecular Formula
C6H10O3
SMILES
COCC1(CC1)C(=O)O
InChI
InChI=1S/C6H10O3/c1-9-4-6(2-3-6)5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey
KXQMCHQUKZMCFQ-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

130.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 126.5
[M+Na]+ 153.052208 136.0
[M-H]- 129.055714 130.3
[M+NH4]+ 148.096813 144.9
[M+K]+ 169.026148 135.4
[M+H-H2O]+ 113.060250 122.5
[M+HCOO]- 175.061191 148.7
[M+CH3COO]- 189.076841 172.2
[M+Na-2H]- 151.037656 133.5
[M]+ 130.06244142 130.6
[M]- 130.06353858 130.6
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