CID 71721454

2-amino-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C9H10N4
SMILES
C1CNCC2=CC(=C(N=C21)N)C#N
InChI
InChI=1S/C9H10N4/c10-4-6-3-7-5-12-2-1-8(7)13-9(6)11/h3,12H,1-2,5H2,(H2,11,13)
InChIKey
LSNQJRWJWMLSNS-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.09055 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 137.6
[M+Na]+ 197.079768 147.0
[M-H]- 173.083274 136.7
[M+NH4]+ 192.124373 153.1
[M+K]+ 213.053708 141.7
[M+H-H2O]+ 157.087810 124.0
[M+HCOO]- 219.088751 152.1
[M+CH3COO]- 233.104401 147.6
[M+Na-2H]- 195.065216 143.9
[M]+ 174.09000142 127.0
[M]- 174.09109858 127.0
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

No patent data available for this compound.