CID 19049021

179686-22-7

Structural Information

Molecular Formula
C9H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCN=C(C1)N
InChI
InChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-5-4-11-7(10)6-12/h4-6H2,1-3H3,(H2,10,11)
InChIKey
AQYJBWNCDKSQJH-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.13208 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.13936 147.0
[M+Na]+ 222.12130 153.1
[M-H]- 198.12480 147.2
[M+NH4]+ 217.16590 163.3
[M+K]+ 238.09524 152.4
[M+H-H2O]+ 182.12934 140.0
[M+HCOO]- 244.13028 164.6
[M+CH3COO]- 258.14593 185.2
[M+Na-2H]- 220.10675 151.4
[M]+ 199.13153 144.5
[M]- 199.13263 144.5
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