CID 90273

23826-72-4

Structural Information

Molecular Formula
C9H15N3
SMILES
CN(C)CCNC1=CC=CC=N1
InChI
InChI=1S/C9H15N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-6H,7-8H2,1-2H3,(H,10,11)
InChIKey
PBPMFHCGVZTYHV-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

75
Patents

165.1266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.133876 136.2
[M+Na]+ 188.115818 142.1
[M-H]- 164.119324 139.6
[M+NH4]+ 183.160423 155.5
[M+K]+ 204.089758 141.3
[M+H-H2O]+ 148.123860 128.6
[M+HCOO]- 210.124801 162.1
[M+CH3COO]- 224.140451 187.2
[M+Na-2H]- 186.101266 144.5
[M]+ 165.12605142 136.4
[M]- 165.12714858 136.4
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