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 165.5
[M-H]- 235.20674 163.2
[M+NH4]+ 254.24784 178.7
[M+K]+ 275.17718 164.4
[M+H-H2O]+ 219.21128 151.6
[M+HCOO]- 281.21222 171.2
[M+CH3COO]- 295.22787 196.5
[M+Na-2H]- 257.18869 163.8
[M]+ 236.21347 163.9
[M]- 236.21457 163.9
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

patents stripe