CID 52176397

[2-(pyridin-4-yl)phenyl]methanamine

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CC=C(C(=C1)CN)C2=CC=NC=C2
InChI
InChI=1S/C12H12N2/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10/h1-8H,9,13H2
InChIKey
LYRIZYIWZAIKAJ-UHFFFAOYSA-N
Compound name
(2-pyridin-4-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

184.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 139.2
[M+Na]+ 207.08927 146.9
[M-H]- 183.09277 144.2
[M+NH4]+ 202.13387 157.0
[M+K]+ 223.06321 142.7
[M+H-H2O]+ 167.09731 131.3
[M+HCOO]- 229.09825 163.4
[M+CH3COO]- 243.11390 152.2
[M+Na-2H]- 205.07472 147.2
[M]+ 184.09950 136.8
[M]- 184.10060 136.8
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