CID 6430754

10-epi-gamma-eudesmol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=C2C[C@@H](CC[C@@]2(CCC1)C)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1
InChIKey
WMOPMQRJLLIEJV-DOMZBBRYSA-N
Compound name
2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

1022
Patents

222.19836 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.9
[M+Na]+ 245.18758 160.0
[M-H]- 221.19108 157.2
[M+NH4]+ 240.23218 176.0
[M+K]+ 261.16152 157.0
[M+H-H2O]+ 205.19562 150.3
[M+HCOO]- 267.19656 168.7
[M+CH3COO]- 281.21221 189.9
[M+Na-2H]- 243.17303 159.2
[M]+ 222.19781 150.2
[M]- 222.19891 150.2
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