CID 14656044

3,5,7-trimethyl-2e,4e,6e,8e-decatetraene

Structural Information

Molecular Formula
C13H20
SMILES
C/C=C/C(=C/C(=C/C(=C/C)/C)/C)/C
InChI
InChI=1S/C13H20/c1-6-8-12(4)10-13(5)9-11(3)7-2/h6-10H,1-5H3/b8-6+,11-7+,12-10+,13-9+
InChIKey
RRPFGKUHEMWGSW-RYNMLCPOSA-N
Compound name
(2E,4E,6E,8E)-3,5,7-trimethyldeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.1565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.16378 145.0
[M+Na]+ 199.14572 150.3
[M-H]- 175.14922 144.7
[M+NH4]+ 194.19032 165.5
[M+K]+ 215.11966 147.3
[M+H-H2O]+ 159.15376 140.4
[M+HCOO]- 221.15470 164.5
[M+CH3COO]- 235.17035 184.6
[M+Na-2H]- 197.13117 145.0
[M]+ 176.15595 143.9
[M]- 176.15705 143.9
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