CID 3066289

Crl 41244

Structural Information

Molecular Formula
C14H19N
SMILES
CC(C)N1CCC=C(C1)C2=CC=CC=C2
InChI
InChI=1S/C14H19N/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-5,7-9,12H,6,10-11H2,1-2H3
InChIKey
AVSVZQOSCUASQV-UHFFFAOYSA-N
Compound name
5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

201.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 147.1
[M+Na]+ 224.140968 152.3
[M-H]- 200.144474 151.6
[M+NH4]+ 219.185573 164.6
[M+K]+ 240.114908 149.2
[M+H-H2O]+ 184.149010 139.1
[M+HCOO]- 246.149951 166.3
[M+CH3COO]- 260.165601 187.3
[M+Na-2H]- 222.126416 151.3
[M]+ 201.15120142 143.5
[M]- 201.15229858 143.5
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