CID 10944069

Maalialcohol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@]12CCC[C@]([C@H]1[C@H]3[C@H](C3(C)C)CC2)(C)O
InChI
InChI=1S/C15H26O/c1-13(2)10-6-9-14(3)7-5-8-15(4,16)12(14)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1
InChIKey
CJRKEDMYNFITCQ-MUGBGTHKSA-N
Compound name
(1aR,3aS,7S,7aS,7bR)-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 156.0
[M+Na]+ 245.187578 164.9
[M-H]- 221.191084 160.5
[M+NH4]+ 240.232183 176.9
[M+K]+ 261.161518 162.8
[M+H-H2O]+ 205.195620 152.3
[M+HCOO]- 267.196561 168.3
[M+CH3COO]- 281.212211 193.7
[M+Na-2H]- 243.173026 161.4
[M]+ 222.19781142 155.7
[M]- 222.19890858 155.7
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