CID 65581516

2-methyl-5-[(pyridin-2-yl)methyl]aniline

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=C(C=C(C=C1)CC2=CC=CC=N2)N
InChI
InChI=1S/C13H14N2/c1-10-5-6-11(9-13(10)14)8-12-4-2-3-7-15-12/h2-7,9H,8,14H2,1H3
InChIKey
RWVKDRAOUCTQLZ-UHFFFAOYSA-N
Compound name
2-methyl-5-(pyridin-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 144.0
[M+Na]+ 221.10491 152.2
[M-H]- 197.10841 149.2
[M+NH4]+ 216.14951 161.6
[M+K]+ 237.07885 147.9
[M+H-H2O]+ 181.11295 136.1
[M+HCOO]- 243.11389 167.9
[M+CH3COO]- 257.12954 188.1
[M+Na-2H]- 219.09036 150.7
[M]+ 198.11514 142.4
[M]- 198.11624 142.4
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.