CID 470906

N-butylpyrazine-2-carboxamide

Structural Information

Molecular Formula
C9H13N3O
SMILES
CCCCNC(=O)C1=NC=CN=C1
InChI
InChI=1S/C9H13N3O/c1-2-3-4-12-9(13)8-7-10-5-6-11-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
WIKJTTMIIUENIR-UHFFFAOYSA-N
Compound name
N-butylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

179.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.5
[M+Na]+ 202.09509 146.1
[M-H]- 178.09859 140.1
[M+NH4]+ 197.13969 156.4
[M+K]+ 218.06903 144.2
[M+H-H2O]+ 162.10313 131.5
[M+HCOO]- 224.10407 161.9
[M+CH3COO]- 238.11972 182.8
[M+Na-2H]- 200.08054 147.0
[M]+ 179.10532 139.7
[M]- 179.10642 139.7
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