CID 3058703

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

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

0
Patents

202.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 141.8
[M+Na]+ 225.13622 146.7
[M-H]- 201.13972 145.3
[M+NH4]+ 220.18082 152.7
[M+K]+ 241.11016 146.3
[M+H-H2O]+ 185.14426 128.2
[M+HCOO]- 247.14520 158.0
[M+CH3COO]- 261.16085 152.7
[M+Na-2H]- 223.12167 148.3
[M]+ 202.14645 146.3
[M]- 202.14755 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