CID 124253440

Tert-butyl n-[6-(aminomethyl)pyridazin-3-yl]carbamate

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(C)(C)OC(=O)NC1=NN=C(C=C1)CN
InChI
InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)12-8-5-4-7(6-11)13-14-8/h4-5H,6,11H2,1-3H3,(H,12,14,15)
InChIKey
HBMNKSMCCWNPOP-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(aminomethyl)pyridazin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 152.3
[M+Na]+ 247.11654 159.1
[M-H]- 223.12004 153.1
[M+NH4]+ 242.16114 167.3
[M+K]+ 263.09048 157.6
[M+H-H2O]+ 207.12458 144.6
[M+HCOO]- 269.12552 173.5
[M+CH3COO]- 283.14117 192.6
[M+Na-2H]- 245.10199 158.6
[M]+ 224.12677 152.2
[M]- 224.12787 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.