CID 4716572

117122-72-2

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCNCC1=CN=CC=C1
InChI
InChI=1S/C9H14N2/c1-2-5-10-7-9-4-3-6-11-8-9/h3-4,6,8,10H,2,5,7H2,1H3
InChIKey
GCBOUAABYXKHIS-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

150.11569 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.2
[M+Na]+ 173.104908 138.7
[M-H]- 149.108414 134.1
[M+NH4]+ 168.149513 151.8
[M+K]+ 189.078848 136.7
[M+H-H2O]+ 133.112950 125.3
[M+HCOO]- 195.113891 156.5
[M+CH3COO]- 209.129541 178.8
[M+Na-2H]- 171.090356 140.9
[M]+ 150.11514142 131.8
[M]- 150.11623858 131.8
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