CID 17958977

5,6,7,8-tetrahydro-1,8-naphthyridin-2-butylamine

Structural Information

Molecular Formula
C12H19N3
SMILES
C1CC2=C(NC1)N=C(C=C2)CCCCN
InChI
InChI=1S/C12H19N3/c13-8-2-1-5-11-7-6-10-4-3-9-14-12(10)15-11/h6-7H,1-5,8-9,13H2,(H,14,15)
InChIKey
QFRQJEGTZVFEJQ-UHFFFAOYSA-N
Compound name
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

205.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 148.1
[M+Na]+ 228.147118 153.4
[M-H]- 204.150624 147.0
[M+NH4]+ 223.191723 164.2
[M+K]+ 244.121058 148.7
[M+H-H2O]+ 188.155160 140.1
[M+HCOO]- 250.156101 165.0
[M+CH3COO]- 264.171751 186.6
[M+Na-2H]- 226.132566 154.3
[M]+ 205.15735142 142.9
[M]- 205.15844858 142.9
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