CID 258316

Vufb-8981

Structural Information

Molecular Formula
C14H19N3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC#N
InChI
InChI=1S/C14H19N3/c1-13-5-2-3-6-14(13)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,8-12H2,1H3
InChIKey
HUSFKEDGBZBKTQ-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

229.1579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 157.9
[M+Na]+ 252.14712 170.4
[M+NH4]+ 247.19172 162.7
[M+K]+ 268.12106 159.4
[M-H]- 228.15062 154.0
[M+Na-2H]- 250.13257 162.3
[M]+ 229.15735 157.7
[M]- 229.15845 157.7
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