CID 62672330

3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H13N5
SMILES
CC1CN(CCN1)C2=NC=CN=C2C#N
InChI
InChI=1S/C10H13N5/c1-8-7-15(5-4-12-8)10-9(6-11)13-2-3-14-10/h2-3,8,12H,4-5,7H2,1H3
InChIKey
YCSUVCBLDUSNPU-UHFFFAOYSA-N
Compound name
3-(3-methylpiperazin-1-yl)pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 142.5
[M+Na]+ 226.10632 150.4
[M-H]- 202.10982 140.3
[M+NH4]+ 221.15092 153.2
[M+K]+ 242.08026 145.7
[M+H-H2O]+ 186.11436 125.9
[M+HCOO]- 248.11530 153.6
[M+CH3COO]- 262.13095 150.9
[M+Na-2H]- 224.09177 147.4
[M]+ 203.11655 131.8
[M]- 203.11765 131.8
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.