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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.118956	154.7
[M+Na]+	257.100898	162.8
[M-H]-	233.104404	154.8
[M+NH4]+	252.145503	167.8
[M+K]+	273.074838	161.5
[M+H-H2O]+	217.108940	140.1
[M+HCOO]-	279.109881	171.3
[M+CH3COO]-	293.125531	203.5
[M+Na-2H]-	255.086346	160.1
[M]+	234.11113142	150.9
[M]-	234.11222858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.