CID 124299649

2204368-07-8

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=N2)CN
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-12-10(9-17)4-5-11(8-15)16-12/h4-5H,6-9,15H2,1-3H3
InChIKey
NAVONKSWWYYTCG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 164.4
[M+Na]+ 286.15262 170.6
[M-H]- 262.15612 165.2
[M+NH4]+ 281.19722 179.2
[M+K]+ 302.12656 167.9
[M+H-H2O]+ 246.16066 156.6
[M+HCOO]- 308.16160 180.0
[M+CH3COO]- 322.17725 199.0
[M+Na-2H]- 284.13807 168.8
[M]+ 263.16285 162.9
[M]- 263.16395 162.9
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

No patent data available for this compound.