CID 442519

(+)-8-hydroxycalamenene

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@H]1CC[C@@H](C2=C1C(=CC(=C2)C)O)C(C)C
InChI
InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1
InChIKey
FDMKIGKOMRSCAW-NWDGAFQWSA-N
Compound name
(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

218.16707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 150.9
[M+Na]+ 241.15629 158.1
[M-H]- 217.15979 154.1
[M+NH4]+ 236.20089 170.7
[M+K]+ 257.13023 154.6
[M+H-H2O]+ 201.16433 145.5
[M+HCOO]- 263.16527 168.1
[M+CH3COO]- 277.18092 192.5
[M+Na-2H]- 239.14174 152.7
[M]+ 218.16652 149.3
[M]- 218.16762 149.3
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