CID 75356173

1-methylpiperazine-2-carbonitrile

Structural Information

Molecular Formula
C6H11N3
SMILES
CN1CCNCC1C#N
InChI
InChI=1S/C6H11N3/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-3,5H2,1H3
InChIKey
UVVVPHSDEZUWCT-UHFFFAOYSA-N
Compound name
1-methylpiperazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 123.1
[M+Na]+ 148.084518 131.0
[M-H]- 124.088024 121.9
[M+NH4]+ 143.129123 139.9
[M+K]+ 164.058458 128.9
[M+H-H2O]+ 108.092560 110.0
[M+HCOO]- 170.093501 137.2
[M+CH3COO]- 184.109151 182.0
[M+Na-2H]- 146.069966 128.8
[M]+ 125.09475142 112.7
[M]- 125.09584858 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