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]+ 154.13388 128.9
[M+Na]+ 176.11582 137.2
[M-H]- 152.11932 129.0
[M+NH4]+ 171.16042 145.7
[M+K]+ 192.08976 135.5
[M+H-H2O]+ 136.12386 115.5
[M+HCOO]- 198.12480 143.8
[M+CH3COO]- 212.14045 190.8
[M+Na-2H]- 174.10127 133.6
[M]+ 153.12605 121.2
[M]- 153.12715 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