CID 91619075

3-methyl-5-(3-pyridinyl)benzenamine

Structural Information

Molecular Formula
C12H12N2
SMILES
CC1=CC(=CC(=C1)N)C2=CN=CC=C2
InChI
InChI=1S/C12H12N2/c1-9-5-11(7-12(13)6-9)10-3-2-4-14-8-10/h2-8H,13H2,1H3
InChIKey
KOOYFPBSQRKDEU-UHFFFAOYSA-N
Compound name
3-methyl-5-pyridin-3-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

184.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 139.4
[M+Na]+ 207.08927 148.1
[M-H]- 183.09277 144.8
[M+NH4]+ 202.13387 157.6
[M+K]+ 223.06321 144.0
[M+H-H2O]+ 167.09731 131.8
[M+HCOO]- 229.09825 163.6
[M+CH3COO]- 243.11390 152.8
[M+Na-2H]- 205.07472 146.7
[M]+ 184.09950 137.4
[M]- 184.10060 137.4
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.