CID 134688339

Dimethyl cyclormol

Structural Information

Molecular Formula
C12H18O
SMILES
CC1[C@H]2C[C@H](C1O)C3C2CC=C3C
InChI
InChI=1S/C12H18O/c1-6-3-4-8-9-5-10(11(6)8)12(13)7(9)2/h3,7-13H,4-5H2,1-2H3/t7?,8?,9-,10+,11?,12?/m1/s1
InChIKey
JPUCFBUQBMPIGY-FHXMXALBSA-N
Compound name
(1S,7S)-5,9-dimethyltricyclo[5.2.1.02,6]dec-4-en-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.13577 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 139.1
[M+Na]+ 201.12499 147.9
[M+NH4]+ 196.16959 149.5
[M+K]+ 217.09893 147.4
[M-H]- 177.12849 139.9
[M+Na-2H]- 199.11044 138.9
[M]+ 178.13522 140.4
[M]- 178.13632 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.