CID 12726740

3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine

Structural Information

Molecular Formula
C14H23N3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CCCN
InChI
InChI=1S/C14H23N3/c1-13-4-2-5-14(12-13)17-10-8-16(9-11-17)7-3-6-15/h2,4-5,12H,3,6-11,15H2,1H3
InChIKey
DKKAQYKNOCNRSI-UHFFFAOYSA-N
Compound name
3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

233.1892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 158.0
[M+Na]+ 256.17842 162.6
[M-H]- 232.18192 160.3
[M+NH4]+ 251.22302 172.5
[M+K]+ 272.15236 158.4
[M+H-H2O]+ 216.18646 148.7
[M+HCOO]- 278.18740 175.8
[M+CH3COO]- 292.20305 194.8
[M+Na-2H]- 254.16387 161.0
[M]+ 233.18865 152.8
[M]- 233.18975 152.8
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