CID 71756503

2-(1,4-dimethylpiperazin-2-yl)acetonitrile

Structural Information

Molecular Formula
C8H15N3
SMILES
CN1CCN(C(C1)CC#N)C
InChI
InChI=1S/C8H15N3/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3,5-7H2,1-2H3
InChIKey
RCNVUOMIKSCKCH-UHFFFAOYSA-N
Compound name
2-(1,4-dimethylpiperazin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.1266 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 128.9
[M+Na]+ 176.115818 137.2
[M-H]- 152.119324 129.0
[M+NH4]+ 171.160423 145.7
[M+K]+ 192.089758 135.5
[M+H-H2O]+ 136.123860 115.5
[M+HCOO]- 198.124801 143.8
[M+CH3COO]- 212.140451 190.8
[M+Na-2H]- 174.101266 133.6
[M]+ 153.12605142 121.2
[M]- 153.12714858 121.2
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