CID 125512843

Tert-butyl n-[(6-aminopyridazin-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(C)(C)OC(=O)NCC1=NN=C(C=C1)N
InChI
InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)12-6-7-4-5-8(11)14-13-7/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,15)
InChIKey
QWTYUFVGRPVCCY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(6-aminopyridazin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.134596 152.3
[M+Na]+ 247.116538 159.1
[M-H]- 223.120044 153.1
[M+NH4]+ 242.161143 167.3
[M+K]+ 263.090478 157.6
[M+H-H2O]+ 207.124580 144.6
[M+HCOO]- 269.125521 173.5
[M+CH3COO]- 283.141171 192.6
[M+Na-2H]- 245.101986 158.6
[M]+ 224.12677142 152.2
[M]- 224.12786858 152.2
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.