CID 12378181

5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine

Structural Information

Molecular Formula
C10H14N2
SMILES
CC1=CC(=NC2=C1CCCN2)C
InChI
InChI=1S/C10H14N2/c1-7-6-8(2)12-10-9(7)4-3-5-11-10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKey
DXIRHDQUVVQLGI-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

162.11569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 135.8
[M+Na]+ 185.10491 143.8
[M-H]- 161.10841 136.0
[M+NH4]+ 180.14951 154.6
[M+K]+ 201.07885 140.0
[M+H-H2O]+ 145.11295 128.8
[M+HCOO]- 207.11389 152.9
[M+CH3COO]- 221.12954 148.0
[M+Na-2H]- 183.09036 142.9
[M]+ 162.11514 131.9
[M]- 162.11624 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe