CID 13344045

3-propylpyridin-2-amine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCCC1=C(N=CC=C1)N
InChI
InChI=1S/C8H12N2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6H,2,4H2,1H3,(H2,9,10)
InChIKey
FJIRTSVMONBPNB-UHFFFAOYSA-N
Compound name
3-propylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

136.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 128.0
[M+Na]+ 159.08927 136.0
[M-H]- 135.09277 130.0
[M+NH4]+ 154.13387 148.3
[M+K]+ 175.06321 133.9
[M+H-H2O]+ 119.09731 121.7
[M+HCOO]- 181.09825 152.1
[M+CH3COO]- 195.11390 176.2
[M+Na-2H]- 157.07472 135.5
[M]+ 136.09950 126.7
[M]- 136.10060 126.7
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