CID 2757977

1-(3-cyanopropyl)piperazine

Structural Information

Molecular Formula
C8H15N3
SMILES
C1CN(CCN1)CCCC#N
InChI
InChI=1S/C8H15N3/c9-3-1-2-6-11-7-4-10-5-8-11/h10H,1-2,4-8H2
InChIKey
YWKVYGFJHOLYRV-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

153.1266 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 130.7
[M+Na]+ 176.115818 136.9
[M-H]- 152.119324 128.7
[M+NH4]+ 171.160423 146.1
[M+K]+ 192.089758 134.3
[M+H-H2O]+ 136.123860 116.8
[M+HCOO]- 198.124801 144.1
[M+CH3COO]- 212.140451 186.4
[M+Na-2H]- 174.101266 136.1
[M]+ 153.12605142 120.5
[M]- 153.12714858 120.5
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