CID 21416509

64394-21-4

Structural Information

Molecular Formula
C16H28O
SMILES
CC1(CC2(C3CCCCC3C2C(C1)(C)O)C)C
InChI
InChI=1S/C16H28O/c1-14(2)9-15(3)12-8-6-5-7-11(12)13(15)16(4,17)10-14/h11-13,17H,5-10H2,1-4H3
InChIKey
RSSVUYPTUJMLJY-UHFFFAOYSA-N
Compound name
1,3,3,4a-tetramethyl-4,4b,5,6,7,8,8a,8b-octahydro-2H-biphenylen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 159.6
[M+Na]+ 259.20324 165.3
[M+NH4]+ 254.24784 169.6
[M+K]+ 275.17718 154.9
[M-H]- 235.20674 159.4
[M+Na-2H]- 257.18869 162.9
[M]+ 236.21347 159.7
[M]- 236.21457 159.7
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.