CID 20262876

2095409-53-1

Structural Information

Molecular Formula
C9H15N3
SMILES
CN(CCCN)C1=CC=CC=N1
InChI
InChI=1S/C9H15N3/c1-12(8-4-6-10)9-5-2-3-7-11-9/h2-3,5,7H,4,6,8,10H2,1H3
InChIKey
BYNUACNSLSSKPU-UHFFFAOYSA-N
Compound name
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 136.6
[M+Na]+ 188.115818 142.4
[M-H]- 164.119324 139.4
[M+NH4]+ 183.160423 155.6
[M+K]+ 204.089758 141.3
[M+H-H2O]+ 148.123860 129.0
[M+HCOO]- 210.124801 161.8
[M+CH3COO]- 224.140451 186.5
[M+Na-2H]- 186.101266 143.8
[M]+ 165.12605142 135.8
[M]- 165.12714858 135.8
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

patents stripe