CID 167742566

Tert-butyl n-[(5-cyanopyrazin-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CC(C)(C)OC(=O)NCC1=CN=C(C=N1)C#N
InChI
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15-7-9-6-13-8(4-12)5-14-9/h5-6H,7H2,1-3H3,(H,15,16)
InChIKey
ZLHXZJZTTSAUQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-cyanopyrazin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 154.7
[M+Na]+ 257.10090 162.8
[M-H]- 233.10440 154.8
[M+NH4]+ 252.14550 167.8
[M+K]+ 273.07484 161.5
[M+H-H2O]+ 217.10894 140.1
[M+HCOO]- 279.10988 171.3
[M+CH3COO]- 293.12553 203.5
[M+Na-2H]- 255.08635 160.1
[M]+ 234.11113 150.9
[M]- 234.11223 150.9
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.