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

7
Patents

229.1579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 151.1
[M+Na]+ 252.147118 158.6
[M-H]- 228.150624 152.8
[M+NH4]+ 247.191723 164.4
[M+K]+ 268.121058 153.5
[M+H-H2O]+ 212.155160 135.6
[M+HCOO]- 274.156101 165.2
[M+CH3COO]- 288.171751 202.9
[M+Na-2H]- 250.132566 154.6
[M]+ 229.15735142 142.7
[M]- 229.15844858 142.7
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