CID 10888177

Ethyl (1r,2r)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(=O)[C@@]1(C[C@H]1CO)C
InChI
InChI=1S/C8H14O3/c1-3-11-7(10)8(2)4-6(8)5-9/h6,9H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKey
NPNIDLJZVHSBLF-POYBYMJQSA-N
Compound name
trans-ethyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

158.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.0
[M+Na]+ 181.083518 143.6
[M-H]- 157.087024 137.8
[M+NH4]+ 176.128123 151.7
[M+K]+ 197.057458 142.4
[M+H-H2O]+ 141.091560 130.0
[M+HCOO]- 203.092501 155.5
[M+CH3COO]- 217.108151 178.4
[M+Na-2H]- 179.068966 139.4
[M]+ 158.09375142 139.1
[M]- 158.09484858 139.1
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.