CID 13394318

100224-58-6

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC(=CC=C1)C2=CCNCC2
InChI
InChI=1S/C12H15N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-5,9,13H,6-8H2,1H3
InChIKey
IGFTXVSSZNMDBA-UHFFFAOYSA-N
Compound name
4-(3-methylphenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

173.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 138.3
[M+Na]+ 196.109668 144.3
[M-H]- 172.113174 141.8
[M+NH4]+ 191.154273 156.4
[M+K]+ 212.083608 140.3
[M+H-H2O]+ 156.117710 131.0
[M+HCOO]- 218.118651 157.7
[M+CH3COO]- 232.134301 150.4
[M+Na-2H]- 194.095116 144.4
[M]+ 173.11990142 132.8
[M]- 173.12099858 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

No literature data available for this compound.

Patent stripe

patents stripe