CID 5353010

(e)-2-hexenyl tiglate

Structural Information

Molecular Formula
C11H18O2
SMILES
CCC/C=C/COC(=O)/C(=C/C)/C
InChI
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7+,10-5+
InChIKey
UEDNMMNLPZRYMI-LZIZUESTSA-N
Compound name
[(E)-hex-2-enyl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

182.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 144.2
[M+Na]+ 205.11990 150.1
[M-H]- 181.12340 144.0
[M+NH4]+ 200.16450 164.4
[M+K]+ 221.09384 148.7
[M+H-H2O]+ 165.12794 139.3
[M+HCOO]- 227.12888 165.6
[M+CH3COO]- 241.14453 183.2
[M+Na-2H]- 203.10535 146.3
[M]+ 182.13013 146.7
[M]- 182.13123 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