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]+ 264.170676 164.4
[M+Na]+ 286.152618 170.6
[M-H]- 262.156124 165.2
[M+NH4]+ 281.197223 179.2
[M+K]+ 302.126558 167.9
[M+H-H2O]+ 246.160660 156.6
[M+HCOO]- 308.161601 180.0
[M+CH3COO]- 322.177251 199.0
[M+Na-2H]- 284.138066 168.8
[M]+ 263.16285142 162.9
[M]- 263.16394858 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.