CID 3058702

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

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CC1CN2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C12H16N2/c1-2-11-9-14(8-10-3-4-10)7-5-12(11)13-6-1/h1-2,6,10H,3-5,7-9H2
InChIKey
BPIYGYNKZVZXOP-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 148.7
[M+Na]+ 211.12057 157.1
[M-H]- 187.12407 153.3
[M+NH4]+ 206.16517 161.7
[M+K]+ 227.09451 152.9
[M+H-H2O]+ 171.12861 139.8
[M+HCOO]- 233.12955 167.2
[M+CH3COO]- 247.14520 159.9
[M+Na-2H]- 209.10602 155.4
[M]+ 188.13080 147.7
[M]- 188.13190 147.7
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