CID 4178492

627-167-8

Structural Information

Molecular Formula
C13H14N2
SMILES
CN(CC1=CC=CC=C1)C2=CC=NC=C2
InChI
InChI=1S/C13H14N2/c1-15(13-7-9-14-10-8-13)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
LWZDSXONSDJDOH-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

198.11569 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.3
[M+Na]+ 221.10491 149.7
[M-H]- 197.10841 149.7
[M+NH4]+ 216.14951 161.1
[M+K]+ 237.07885 147.1
[M+H-H2O]+ 181.11295 134.7
[M+HCOO]- 243.11389 168.3
[M+CH3COO]- 257.12954 190.0
[M+Na-2H]- 219.09036 151.8
[M]+ 198.11514 143.1
[M]- 198.11624 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe