CID 129980831

2169998-46-1

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=NC=C2CNCCC2=C1C#N
InChI
InChI=1S/C10H11N3/c1-7-10(4-11)9-2-3-12-5-8(9)6-13-7/h6,12H,2-3,5H2,1H3
InChIKey
UYLREPBFABUJMV-UHFFFAOYSA-N
Compound name
3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 142.2
[M+Na]+ 196.08451 154.8
[M+NH4]+ 191.12911 147.4
[M+K]+ 212.05845 144.7
[M-H]- 172.08801 136.6
[M+Na-2H]- 194.06996 145.4
[M]+ 173.09474 141.6
[M]- 173.09584 141.6
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.