CID 55265884

3-(3-methylpyridin-4-yl)propan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.11569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.6
[M+Na]+ 173.10491 140.2
[M-H]- 149.10841 134.5
[M+NH4]+ 168.14951 152.3
[M+K]+ 189.07885 137.8
[M+H-H2O]+ 133.11295 126.0
[M+HCOO]- 195.11389 156.3
[M+CH3COO]- 209.12954 179.2
[M+Na-2H]- 171.09036 139.5
[M]+ 150.11514 131.7
[M]- 150.11624 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

No patent data available for this compound.