CID 9877599

3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CC2=C(NC1)N=C(C=C2)CCCN
InChI
InChI=1S/C11H17N3/c12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10/h5-6H,1-4,7-8,12H2,(H,13,14)
InChIKey
BWMYVZPZPGAOPC-UHFFFAOYSA-N
Compound name
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

191.14224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 143.7
[M+Na]+ 214.13146 149.4
[M-H]- 190.13496 142.7
[M+NH4]+ 209.17606 160.3
[M+K]+ 230.10540 144.9
[M+H-H2O]+ 174.13950 135.9
[M+HCOO]- 236.14044 160.9
[M+CH3COO]- 250.15609 154.2
[M+Na-2H]- 212.11691 150.4
[M]+ 191.14169 138.1
[M]- 191.14279 138.1
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