CID 21718037

Unii-egp3dxq871

Structural Information

Molecular Formula
C15H28O
SMILES
C[C@@H]1CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C
InChI
InChI=1S/C15H28O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKey
YJHVMPKSUPGGPZ-GUIRCDHDSA-N
Compound name
2-[(2R,4aR,8R,8aS)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 156.7
[M+Na]+ 247.20324 160.6
[M-H]- 223.20674 158.5
[M+NH4]+ 242.24784 177.5
[M+K]+ 263.17718 157.9
[M+H-H2O]+ 207.21128 152.1
[M+HCOO]- 269.21222 168.9
[M+CH3COO]- 283.22787 190.3
[M+Na-2H]- 245.18869 159.9
[M]+ 224.21347 150.4
[M]- 224.21457 150.4
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.