CID 138039861

2241130-38-9

Structural Information

Molecular Formula
C15H16N2
SMILES
C1C(C1C(C2=CC=CC=C2)N)C3=CC=NC=C3
InChI
InChI=1S/C15H16N2/c16-15(12-4-2-1-3-5-12)14-10-13(14)11-6-8-17-9-7-11/h1-9,13-15H,10,16H2
InChIKey
JRQLDZRQWHDHMM-UHFFFAOYSA-N
Compound name
phenyl-(2-pyridin-4-ylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 148.5
[M+Na]+ 247.120568 156.5
[M-H]- 223.124074 156.8
[M+NH4]+ 242.165173 159.8
[M+K]+ 263.094508 151.7
[M+H-H2O]+ 207.128610 140.1
[M+HCOO]- 269.129551 171.7
[M+CH3COO]- 283.145201 160.3
[M+Na-2H]- 245.106016 154.4
[M]+ 224.13080142 147.7
[M]- 224.13189858 147.7
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

No patent data available for this compound.