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

103
Patents

205.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 148.1
[M+Na]+ 228.14712 153.4
[M-H]- 204.15062 147.0
[M+NH4]+ 223.19172 164.2
[M+K]+ 244.12106 148.7
[M+H-H2O]+ 188.15516 140.1
[M+HCOO]- 250.15610 165.0
[M+CH3COO]- 264.17175 186.6
[M+Na-2H]- 226.13257 154.3
[M]+ 205.15735 142.9
[M]- 205.15845 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