CID 44148196

1,9-cyclohexadecadiene

Structural Information

Molecular Formula
C16H28
SMILES
C1CC/C=C\CCCCCC/C=C\CCC1
InChI
InChI=1S/C16H28/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-2,15-16H,3-14H2/b2-1-,16-15-
InChIKey
QCSDLMPAQMQZOE-QSWGICILSA-N
Compound name
(1Z,9Z)-cyclohexadeca-1,9-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

244
Patents

220.2191 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.226376 153.4
[M+Na]+ 243.208318 153.6
[M-H]- 219.211824 153.8
[M+NH4]+ 238.252923 167.7
[M+K]+ 259.182258 152.1
[M+H-H2O]+ 203.216360 149.9
[M+HCOO]- 265.217301 169.6
[M+CH3COO]- 279.232951 180.1
[M+Na-2H]- 241.193766 155.4
[M]+ 220.21855142 140.7
[M]- 220.21964858 140.7
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