CID 15490867

13s-methyl-6e-heneicosene

Structural Information

Molecular Formula
C22H44
SMILES
CCCCCCCC[C@H](C)CCCCC/C=C/CCCCC
InChI
InChI=1S/C22H44/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2/h12-13,22H,4-11,14-21H2,1-3H3/b13-12+/t22-/m0/s1
InChIKey
CFLRHPQYBXOMBU-GNNUASRNSA-N
Compound name
(E,13S)-13-methylhenicos-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.3443 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.35158 190.7
[M+Na]+ 331.33352 191.5
[M-H]- 307.33702 188.2
[M+NH4]+ 326.37812 205.9
[M+K]+ 347.30746 186.9
[M+H-H2O]+ 291.34156 183.7
[M+HCOO]- 353.34250 208.4
[M+CH3COO]- 367.35815 214.8
[M+Na-2H]- 329.31897 188.0
[M]+ 308.34375 196.7
[M]- 308.34485 196.7
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.