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

149
Patents

150.11569 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.2
[M+Na]+ 173.10491 138.7
[M-H]- 149.10841 134.1
[M+NH4]+ 168.14951 151.8
[M+K]+ 189.07885 136.7
[M+H-H2O]+ 133.11295 125.3
[M+HCOO]- 195.11389 156.5
[M+CH3COO]- 209.12954 178.8
[M+Na-2H]- 171.09036 140.9
[M]+ 150.11514 131.8
[M]- 150.11624 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