CID 155822297

3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C9H10N4
SMILES
C1CNCC2=CN=C(C(=C21)C#N)N
InChI
InChI=1S/C9H10N4/c10-3-8-7-1-2-12-4-6(7)5-13-9(8)11/h5,12H,1-2,4H2,(H2,11,13)
InChIKey
YJIXGBGVHOVKGA-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-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]+ 175.09783 137.6
[M+Na]+ 197.07977 147.0
[M-H]- 173.08327 136.7
[M+NH4]+ 192.12437 153.1
[M+K]+ 213.05371 141.7
[M+H-H2O]+ 157.08781 124.0
[M+HCOO]- 219.08875 152.1
[M+CH3COO]- 233.10440 147.6
[M+Na-2H]- 195.06522 143.9
[M]+ 174.09000 127.0
[M]- 174.09110 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.