CID 165362845

Dtxsid101021905

Structural Information

Molecular Formula
C42H82
SMILES
CCCCCCCCCCCCCCCCCCCC(=C)CCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C42H82/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-41-42(3)40-38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h18,20H,3-17,19,21-41H2,1-2H3/b20-18-
InChIKey
FLGHVERXKKRVNX-ZZEZOPTASA-N
Compound name
(Z)-22-methylidenehentetracont-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.64166 Da
Monoisotopic Mass

21.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.64894 268.4
[M+Na]+ 609.63088 274.3
[M-H]- 585.63438 245.7
[M+NH4]+ 604.67548 265.3
[M+K]+ 625.60482 277.7
[M+H-H2O]+ 569.63892 266.8
[M+HCOO]- 631.63986 273.8
[M+CH3COO]- 645.65551 271.6
[M+Na-2H]- 607.61633 250.6
[M]+ 586.64111 268.7
[M]- 586.64221 268.7
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.