CID 377622

9-methyljulolidine

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C13H17N/c1-10-8-11-4-2-6-14-7-3-5-12(9-10)13(11)14/h8-9H,2-7H2,1H3
InChIKey
QZTWYOTURUWJLW-UHFFFAOYSA-N
Compound name
7-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

285
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

literature stripe

Patent stripe

patents stripe