CID 2757977

5623-94-9

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]+ 154.13388 130.7
[M+Na]+ 176.11582 136.9
[M-H]- 152.11932 128.7
[M+NH4]+ 171.16042 146.1
[M+K]+ 192.08976 134.3
[M+H-H2O]+ 136.12386 116.8
[M+HCOO]- 198.12480 144.1
[M+CH3COO]- 212.14045 186.4
[M+Na-2H]- 174.10127 136.1
[M]+ 153.12605 120.5
[M]- 153.12715 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