CID 21714700

(5-chloropyrazin-2-yl)methanamine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=C(N=CC(=N1)Cl)CN
InChI
InChI=1S/C5H6ClN3/c6-5-3-8-4(1-7)2-9-5/h2-3H,1,7H2
InChIKey
SYZWYECIPSWFJM-UHFFFAOYSA-N
Compound name
(5-chloropyrazin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

143.02502 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 124.8
[M+Na]+ 166.014238 134.8
[M-H]- 142.017744 125.5
[M+NH4]+ 161.058843 144.2
[M+K]+ 181.988178 131.3
[M+H-H2O]+ 126.022280 118.6
[M+HCOO]- 188.023221 143.8
[M+CH3COO]- 202.038871 173.7
[M+Na-2H]- 163.999686 133.4
[M]+ 143.02447142 124.7
[M]- 143.02556858 124.7
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