CID 91767

102417-86-7

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=CC=CC=C1C2=CCN(CC2)C
InChI
InChI=1S/C13H17N/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12/h3-7H,8-10H2,1-2H3
InChIKey
BORHNVHYIYTKKC-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-methylphenyl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

83
References

131
Patents

187.1361 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.1
[M+Na]+ 210.12532 149.0
[M-H]- 186.12882 147.1
[M+NH4]+ 205.16992 160.6
[M+K]+ 226.09926 145.7
[M+H-H2O]+ 170.13336 134.5
[M+HCOO]- 232.13430 162.6
[M+CH3COO]- 246.14995 184.6
[M+Na-2H]- 208.11077 147.4
[M]+ 187.13555 139.2
[M]- 187.13665 139.2
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