CID 21300030

4-methylpiperazine-2-carbonitrile

Structural Information

Molecular Formula
C6H11N3
SMILES
CN1CCNC(C1)C#N
InChI
InChI=1S/C6H11N3/c1-9-3-2-8-6(4-7)5-9/h6,8H,2-3,5H2,1H3
InChIKey
CWQHAFKSCIBIDU-UHFFFAOYSA-N
Compound name
4-methylpiperazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 123.1
[M+Na]+ 148.08452 131.0
[M-H]- 124.08802 121.9
[M+NH4]+ 143.12912 139.9
[M+K]+ 164.05846 128.9
[M+H-H2O]+ 108.09256 110.0
[M+HCOO]- 170.09350 137.2
[M+CH3COO]- 184.10915 182.0
[M+Na-2H]- 146.06997 128.8
[M]+ 125.09475 112.7
[M]- 125.09585 112.7
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