CID 62161

2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal

Structural Information

Molecular Formula
C15H22O
SMILES
CC(=CCCC(=C)C=C)CCC=C(C)C=O
InChI
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3
InChIKey
NOPLRNXKHZRXHT-UHFFFAOYSA-N
Compound name
2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1
References

2160
Patents

218.16707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 155.6
[M+Na]+ 241.156288 160.2
[M-H]- 217.159794 154.8
[M+NH4]+ 236.200893 174.1
[M+K]+ 257.130228 156.4
[M+H-H2O]+ 201.164330 150.4
[M+HCOO]- 263.165271 174.8
[M+CH3COO]- 277.180921 193.0
[M+Na-2H]- 239.141736 154.5
[M]+ 218.16652142 156.2
[M]- 218.16761858 156.2
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