CID 89863557

Ethyl (1s,2s)-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+/m1/s1
InChIKey
NPNIDLJZVHSBLF-SVRRBLITSA-N
Compound name
ethyl (1S,2S)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

158.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.0
[M+Na]+ 181.08352 143.6
[M-H]- 157.08702 137.8
[M+NH4]+ 176.12812 151.7
[M+K]+ 197.05746 142.4
[M+H-H2O]+ 141.09156 130.0
[M+HCOO]- 203.09250 155.5
[M+CH3COO]- 217.10815 178.4
[M+Na-2H]- 179.06897 139.4
[M]+ 158.09375 139.1
[M]- 158.09485 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

patents stripe