CID 565675

1-methyl-2-methylene-trans-decalin

Structural Information

Molecular Formula
C12H20
SMILES
CC1C2CCCCC2CCC1=C
InChI
InChI=1S/C12H20/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h10-12H,1,3-8H2,2H3
InChIKey
FHUBBNKIBOEBJN-UHFFFAOYSA-N
Compound name
8-methyl-7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.1565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 137.9
[M+Na]+ 187.145718 142.4
[M-H]- 163.149224 141.2
[M+NH4]+ 182.190323 159.7
[M+K]+ 203.119658 139.5
[M+H-H2O]+ 147.153760 132.4
[M+HCOO]- 209.154701 154.3
[M+CH3COO]- 223.170351 181.1
[M+Na-2H]- 185.131166 141.3
[M]+ 164.15595142 130.4
[M]- 164.15704858 130.4
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