CID 91753503

Gamma-cadinol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CCC2C(C1)[C@H](CC[C@]2(C)O)C(C)C
InChI
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h5,10,12-14,16H,6-9H2,1-4H3/t12-,13?,14?,15+/m1/s1
InChIKey
INTCVZZCTDGTCB-URGYJCLVSA-N
Compound name
(1S,4R)-1,6-dimethyl-4-propan-2-yl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.4
[M+Na]+ 245.18758 159.6
[M-H]- 221.19108 156.8
[M+NH4]+ 240.23218 175.6
[M+K]+ 261.16152 156.7
[M+H-H2O]+ 205.19562 149.5
[M+HCOO]- 267.19656 168.6
[M+CH3COO]- 281.21221 191.6
[M+Na-2H]- 243.17303 155.9
[M]+ 222.19781 149.8
[M]- 222.19891 149.8
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