CID 6455496

Dtxsid80986919

Structural Information

Molecular Formula
C16H28O
SMILES
CC12CCCC(=C)C1CC(CC2)CC(C)(C)O
InChI
InChI=1S/C16H28O/c1-12-6-5-8-16(4)9-7-13(10-14(12)16)11-15(2,3)17/h13-14,17H,1,5-11H2,2-4H3
InChIKey
GMZKBWZWDAAWPI-UHFFFAOYSA-N
Compound name
1-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 159.7
[M+Na]+ 259.20324 163.5
[M-H]- 235.20674 161.3
[M+NH4]+ 254.24784 180.0
[M+K]+ 275.17718 159.9
[M+H-H2O]+ 219.21128 155.0
[M+HCOO]- 281.21222 171.7
[M+CH3COO]- 295.22787 192.5
[M+Na-2H]- 257.18869 162.4
[M]+ 236.21347 153.1
[M]- 236.21457 153.1
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