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

89
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

literature stripe

Patent stripe

patents stripe