CID 3058702

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

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

2
Patents

188.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 148.7
[M+Na]+ 211.120568 157.1
[M-H]- 187.124074 153.3
[M+NH4]+ 206.165173 161.7
[M+K]+ 227.094508 152.9
[M+H-H2O]+ 171.128610 139.8
[M+HCOO]- 233.129551 167.2
[M+CH3COO]- 247.145201 159.9
[M+Na-2H]- 209.106016 155.4
[M]+ 188.13080142 147.7
[M]- 188.13189858 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