CID 165831845

(1r,2r)-2-(methoxymethyl)-1-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C[C@]1(C[C@H]1COC)C(=O)O
InChI
InChI=1S/C7H12O3/c1-7(6(8)9)3-5(7)4-10-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-,7+/m0/s1
InChIKey
CGIYZJPWGABZJM-CAHLUQPWSA-N
Compound name
trans-(1R,2R)-2-(methoxymethyl)-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.5
[M+Na]+ 167.067858 139.5
[M-H]- 143.071364 133.5
[M+NH4]+ 162.112463 147.7
[M+K]+ 183.041798 138.5
[M+H-H2O]+ 127.075900 125.6
[M+HCOO]- 189.076841 151.3
[M+CH3COO]- 203.092491 176.2
[M+Na-2H]- 165.053306 135.5
[M]+ 144.07809142 134.4
[M]- 144.07918858 134.4
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.