CID 165258

Cryptomeridiol

Structural Information

Molecular Formula
C15H28O2
SMILES
C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(C)(C)O)(C)O
InChI
InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12-,14-,15-/m1/s1
InChIKey
LKKDASYGWYYFIK-QHSBEEBCSA-N
Compound name
(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

24
Patents

240.20892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 160.0
[M+Na]+ 263.19814 164.6
[M-H]- 239.20164 160.7
[M+NH4]+ 258.24274 181.6
[M+K]+ 279.17208 161.8
[M+H-H2O]+ 223.20618 156.4
[M+HCOO]- 285.20712 170.9
[M+CH3COO]- 299.22277 189.6
[M+Na-2H]- 261.18359 164.3
[M]+ 240.20837 154.0
[M]- 240.20947 154.0
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