CID 3864338

638220-38-9

Structural Information

Molecular Formula
C9H15N3
SMILES
CN(C)C(CN)C1=CN=CC=C1
InChI
InChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3
InChIKey
PEQPPVGTDBKQPE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

165.1266 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 137.3
[M+Na]+ 188.11582 142.9
[M-H]- 164.11932 140.3
[M+NH4]+ 183.16042 156.3
[M+K]+ 204.08976 142.3
[M+H-H2O]+ 148.12386 129.8
[M+HCOO]- 210.12480 161.5
[M+CH3COO]- 224.14045 187.4
[M+Na-2H]- 186.10127 143.2
[M]+ 165.12605 135.9
[M]- 165.12715 135.9
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