CID 102054964

1,5-cyclododecadiene, 9-methoxy-1,5,10-trimethyl-

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CC/C(=C/CC/C(=C/CCC1OC)/C)/C
InChI
InChI=1S/C16H28O/c1-13-7-5-8-14(2)11-12-15(3)16(17-4)10-6-9-13/h8-9,15-16H,5-7,10-12H2,1-4H3/b13-9+,14-8+
InChIKey
VYMWXMZFYVDGQX-UAUIHIKDSA-N
Compound name
(1E,5E)-9-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 155.5
[M+Na]+ 259.20324 160.7
[M-H]- 235.20674 156.7
[M+NH4]+ 254.24784 171.3
[M+K]+ 275.17718 159.3
[M+H-H2O]+ 219.21128 152.9
[M+HCOO]- 281.21222 174.0
[M+CH3COO]- 295.22787 190.3
[M+Na-2H]- 257.18869 155.7
[M]+ 236.21347 150.9
[M]- 236.21457 150.9
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.