CID 11160561

Tert-butyl n-(6-chloropyrazin-2-yl)carbamate

Structural Information

Molecular Formula
C9H12ClN3O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CC(=N1)Cl
InChI
InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)13-7-5-11-4-6(10)12-7/h4-5H,1-3H3,(H,12,13,14)
InChIKey
CFNQQJOHQAKFCF-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-chloropyrazin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.0618 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06908 148.8
[M+Na]+ 252.05102 157.6
[M-H]- 228.05452 150.1
[M+NH4]+ 247.09562 165.1
[M+K]+ 268.02496 154.8
[M+H-H2O]+ 212.05906 142.2
[M+HCOO]- 274.06000 165.3
[M+CH3COO]- 288.07565 188.8
[M+Na-2H]- 250.03647 155.8
[M]+ 229.06125 152.0
[M]- 229.06235 152.0
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