CID 15305522

Ethyl 3-cyclopropyl-3-hydroxypropanoate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(=O)CC(C1CC1)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6-7,9H,2-5H2,1H3
InChIKey
OCPBHCDHXMXFQW-UHFFFAOYSA-N
Compound name
ethyl 3-cyclopropyl-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 134.1
[M+Na]+ 181.08352 141.9
[M-H]- 157.08702 137.3
[M+NH4]+ 176.12812 149.5
[M+K]+ 197.05746 140.3
[M+H-H2O]+ 141.09156 128.5
[M+HCOO]- 203.09250 155.1
[M+CH3COO]- 217.10815 178.6
[M+Na-2H]- 179.06897 137.9
[M]+ 158.09375 137.8
[M]- 158.09485 137.8
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