CID 53408186

1-(6-chloropyrazin-2-yl)azepane

Structural Information

Molecular Formula
C10H14ClN3
SMILES
C1CCCN(CC1)C2=CN=CC(=N2)Cl
InChI
InChI=1S/C10H14ClN3/c11-9-7-12-8-10(13-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2
InChIKey
UPIUWWQVYQXMQN-UHFFFAOYSA-N
Compound name
1-(6-chloropyrazin-2-yl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09491 142.6
[M+Na]+ 234.07685 148.8
[M-H]- 210.08035 144.9
[M+NH4]+ 229.12145 156.7
[M+K]+ 250.05079 148.7
[M+H-H2O]+ 194.08489 132.2
[M+HCOO]- 256.08583 155.0
[M+CH3COO]- 270.10148 153.2
[M+Na-2H]- 232.06230 148.2
[M]+ 211.08708 136.6
[M]- 211.08818 136.6
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.