CID 173530

Hex-3-enyl 2-methylpent-2-enoate

Structural Information

Molecular Formula
C12H20O2
SMILES
CCC=CCCOC(=O)C(=CCC)C
InChI
InChI=1S/C12H20O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h6-7,9H,4-5,8,10H2,1-3H3
InChIKey
RTISFZCHFHFOOK-UHFFFAOYSA-N
Compound name
hex-3-enyl 2-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

196.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 148.9
[M+Na]+ 219.13555 154.4
[M-H]- 195.13905 148.5
[M+NH4]+ 214.18015 168.5
[M+K]+ 235.10949 152.7
[M+H-H2O]+ 179.14359 143.8
[M+HCOO]- 241.14453 170.0
[M+CH3COO]- 255.16018 186.2
[M+Na-2H]- 217.12100 150.4
[M]+ 196.14578 151.8
[M]- 196.14688 151.8
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

No patent data available for this compound.