CID 17940666

(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)methanamine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CC2=C(NC1)N=C(C=C2)CN
InChI
InChI=1S/C9H13N3/c10-6-8-4-3-7-2-1-5-11-9(7)12-8/h3-4H,1-2,5-6,10H2,(H,11,12)
InChIKey
XPEHODLGQDPVTB-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

163.11095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 134.8
[M+Na]+ 186.100168 141.4
[M-H]- 162.103674 134.2
[M+NH4]+ 181.144773 152.6
[M+K]+ 202.074108 137.4
[M+H-H2O]+ 146.108210 127.4
[M+HCOO]- 208.109151 152.7
[M+CH3COO]- 222.124801 146.2
[M+Na-2H]- 184.085616 142.6
[M]+ 163.11040142 128.5
[M]- 163.11149858 128.5
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