CID 44152604

(3z)-hex-3-en-1-yl cyclopropanecarboxylate

Structural Information

Molecular Formula
C10H16O2
SMILES
CC/C=C\CCOC(=O)C1CC1
InChI
InChI=1S/C10H16O2/c1-2-3-4-5-8-12-10(11)9-6-7-9/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKey
AQALQDMWXUIMHX-ARJAWSKDSA-N
Compound name
[(Z)-hex-3-enyl] cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

73
Patents

168.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.5
[M+Na]+ 191.10426 147.6
[M-H]- 167.10776 143.8
[M+NH4]+ 186.14886 155.4
[M+K]+ 207.07820 145.2
[M+H-H2O]+ 151.11230 133.4
[M+HCOO]- 213.11324 162.4
[M+CH3COO]- 227.12889 182.7
[M+Na-2H]- 189.08971 143.9
[M]+ 168.11449 144.2
[M]- 168.11559 144.2
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.