CID 252482

2-(dimethylaminomethyl)-pyridine

Structural Information

Molecular Formula
C8H12N2
SMILES
CN(C)CC1=CC=CC=N1
InChI
InChI=1S/C8H12N2/c1-10(2)7-8-5-3-4-6-9-8/h3-6H,7H2,1-2H3
InChIKey
HRUBXJBPLLZTAN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

136.10005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 127.5
[M+Na]+ 159.08927 134.7
[M-H]- 135.09277 131.2
[M+NH4]+ 154.13387 148.4
[M+K]+ 175.06321 134.4
[M+H-H2O]+ 119.09731 120.7
[M+HCOO]- 181.09825 152.7
[M+CH3COO]- 195.11390 179.3
[M+Na-2H]- 157.07472 136.1
[M]+ 136.09950 128.1
[M]- 136.10060 128.1
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