CID 3058703

6-(cyclobutylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC(C1)CN2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C13H18N2/c1-3-11(4-1)9-15-8-6-13-12(10-15)5-2-7-14-13/h2,5,7,11H,1,3-4,6,8-10H2
InChIKey
WYVOMCVYMOFIGC-UHFFFAOYSA-N
Compound name
6-(cyclobutylmethyl)-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 141.8
[M+Na]+ 225.136218 146.7
[M-H]- 201.139724 145.3
[M+NH4]+ 220.180823 152.7
[M+K]+ 241.110158 146.3
[M+H-H2O]+ 185.144260 128.2
[M+HCOO]- 247.145201 158.0
[M+CH3COO]- 261.160851 152.7
[M+Na-2H]- 223.121666 148.3
[M]+ 202.14645142 146.3
[M]- 202.14754858 146.3
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