CID 16070753

Dtxsid4052425

Structural Information

Molecular Formula
C16H28O
SMILES
CC1(C2CCC1(C(C2)C3(CCCCC3)O)C)C
InChI
InChI=1S/C16H28O/c1-14(2)12-7-10-15(14,3)13(11-12)16(17)8-5-4-6-9-16/h12-13,17H,4-11H2,1-3H3
InChIKey
ZCYKVYLQRHEGPH-UHFFFAOYSA-N
Compound name
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

785
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 159.1
[M+Na]+ 259.20324 166.8
[M+NH4]+ 254.24784 173.1
[M+K]+ 275.17718 158.1
[M-H]- 235.20674 161.4
[M+Na-2H]- 257.18869 164.4
[M]+ 236.21347 161.1
[M]- 236.21457 161.1
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