CID 15461361

Cis-3-hexenyl tiglate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC/C=C\CCOC(=O)/C(=C/C)/C
InChI
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
InChIKey
JNWQKXUWZWKUAY-JQEGGOPCSA-N
Compound name
[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

975
Patents

182.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 144.2
[M+Na]+ 205.119898 150.1
[M-H]- 181.123404 144.0
[M+NH4]+ 200.164503 164.4
[M+K]+ 221.093838 148.7
[M+H-H2O]+ 165.127940 139.3
[M+HCOO]- 227.128881 165.6
[M+CH3COO]- 241.144531 183.2
[M+Na-2H]- 203.105346 146.3
[M]+ 182.13013142 146.7
[M]- 182.13122858 146.7
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