CID 55266531

1000507-72-1

Structural Information

Molecular Formula
C9H14N2
SMILES
CC1=NC=CC(=C1)CCCN
InChI
InChI=1S/C9H14N2/c1-8-7-9(3-2-5-10)4-6-11-8/h4,6-7H,2-3,5,10H2,1H3
InChIKey
LLUHGYLDNBPRPG-UHFFFAOYSA-N
Compound name
3-(2-methyl-4-pyridinyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

150.11569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.6
[M+Na]+ 173.104908 140.2
[M-H]- 149.108414 134.5
[M+NH4]+ 168.149513 152.3
[M+K]+ 189.078848 137.8
[M+H-H2O]+ 133.112950 126.0
[M+HCOO]- 195.113891 156.3
[M+CH3COO]- 209.129541 179.2
[M+Na-2H]- 171.090356 139.5
[M]+ 150.11514142 131.7
[M]- 150.11623858 131.7
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