CID 13041247

83674-77-5

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC=CC=C1C2=CCNCC2
InChI
InChI=1S/C12H15N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3
InChIKey
FXAXMQLMMSURHQ-UHFFFAOYSA-N
Compound name
4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

173.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 138.3
[M+Na]+ 196.10967 144.3
[M-H]- 172.11317 141.8
[M+NH4]+ 191.15427 156.4
[M+K]+ 212.08361 140.3
[M+H-H2O]+ 156.11771 131.0
[M+HCOO]- 218.11865 157.7
[M+CH3COO]- 232.13430 150.4
[M+Na-2H]- 194.09512 144.4
[M]+ 173.11990 132.8
[M]- 173.12100 132.8
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