CID 44118835

Tert-butyl n-(5-formylpyrazin-2-yl)carbamate

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC(C)(C)OC(=O)NC1=NC=C(N=C1)C=O
InChI
InChI=1S/C10H13N3O3/c1-10(2,3)16-9(15)13-8-5-11-7(6-14)4-12-8/h4-6H,1-3H3,(H,12,13,15)
InChIKey
ARENRXTXYPJFQV-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-formylpyrazin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.09569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 149.5
[M+Na]+ 246.08491 157.4
[M-H]- 222.08841 150.8
[M+NH4]+ 241.12951 165.0
[M+K]+ 262.05885 156.1
[M+H-H2O]+ 206.09295 142.1
[M+HCOO]- 268.09389 170.7
[M+CH3COO]- 282.10954 189.3
[M+Na-2H]- 244.07036 156.5
[M]+ 223.09514 151.9
[M]- 223.09624 151.9
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

patents stripe