CID 22322612

25560-11-6

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCCNC1=CN=CC=C1
InChI
InChI=1S/C9H14N2/c1-2-3-7-11-9-5-4-6-10-8-9/h4-6,8,11H,2-3,7H2,1H3
InChIKey
YXGVVRABHWIOBA-UHFFFAOYSA-N
Compound name
N-butylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

150.11569 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe