CID 3016695

55496-57-6

Structural Information

Molecular Formula
C10H16N2
SMILES
CCCNCCC1=CC=CC=N1
InChI
InChI=1S/C10H16N2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h3-5,8,11H,2,6-7,9H2,1H3
InChIKey
XPVKRNJOBDEBIH-UHFFFAOYSA-N
Compound name
N-(2-pyridin-2-ylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

164.13135 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 136.7
[M+Na]+ 187.120568 142.9
[M-H]- 163.124074 138.5
[M+NH4]+ 182.165173 155.8
[M+K]+ 203.094508 140.6
[M+H-H2O]+ 147.128610 129.6
[M+HCOO]- 209.129551 160.7
[M+CH3COO]- 223.145201 181.9
[M+Na-2H]- 185.106016 144.9
[M]+ 164.13080142 136.8
[M]- 164.13189858 136.8
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