CID 423997

8-methyljulolidine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=C2CCCN3C2=C(CCC3)C=C1
InChI
InChI=1S/C13H17N/c1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14/h6-7H,2-5,8-9H2,1H3
InChIKey
AKMPASPGNGRDDM-UHFFFAOYSA-N
Compound name
6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

187.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 141.6
[M+Na]+ 210.12532 147.7
[M-H]- 186.12882 143.9
[M+NH4]+ 205.16992 162.3
[M+K]+ 226.09926 144.0
[M+H-H2O]+ 170.13336 134.2
[M+HCOO]- 232.13430 157.4
[M+CH3COO]- 246.14995 153.3
[M+Na-2H]- 208.11077 148.8
[M]+ 187.13555 137.6
[M]- 187.13665 137.6
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

patents stripe