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

32
Patents

163.11095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 134.8
[M+Na]+ 186.10017 141.4
[M-H]- 162.10367 134.2
[M+NH4]+ 181.14477 152.6
[M+K]+ 202.07411 137.4
[M+H-H2O]+ 146.10821 127.4
[M+HCOO]- 208.10915 152.7
[M+CH3COO]- 222.12480 146.2
[M+Na-2H]- 184.08562 142.6
[M]+ 163.11040 128.5
[M]- 163.11150 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