CID 5365883

(e,e,e)-alpha-springene

Structural Information

Molecular Formula
C20H32
SMILES
CC(=CCC/C(=C/CC/C(=C/C/C=C(\C)/C=C)/C)/C)C
InChI
InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
InChIKey
KFHRKQVLZRJWNB-OBHWEXPVSA-N
Compound name
(3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

272.2504 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 175.2
[M+Na]+ 295.239618 177.8
[M-H]- 271.243124 173.7
[M+NH4]+ 290.284223 191.7
[M+K]+ 311.213558 172.7
[M+H-H2O]+ 255.247660 169.5
[M+HCOO]- 317.248601 191.6
[M+CH3COO]- 331.264251 205.7
[M+Na-2H]- 293.225066 170.2
[M]+ 272.24985142 175.5
[M]- 272.25094858 175.5
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