CID 3367074

2-(4-methylpiperazin-1-yl)-1-phenylethan-1-amine

Structural Information

Molecular Formula
C13H21N3
SMILES
CN1CCN(CC1)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)11-13(14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3
InChIKey
UXNGEVJNOQJIJW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

219.17355 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 153.4
[M+Na]+ 242.162768 157.2
[M-H]- 218.166274 155.7
[M+NH4]+ 237.207373 168.1
[M+K]+ 258.136708 153.9
[M+H-H2O]+ 202.170810 144.3
[M+HCOO]- 264.171751 170.6
[M+CH3COO]- 278.187401 191.5
[M+Na-2H]- 240.148216 156.6
[M]+ 219.17300142 146.9
[M]- 219.17409858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe