CID 9161545

4-[4-(propan-2-yl)piperazin-1-yl]aniline

Structural Information

Molecular Formula
C13H21N3
SMILES
CC(C)N1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H21N3/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13/h3-6,11H,7-10,14H2,1-2H3
InChIKey
CRLKNBUQRZOYSE-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

219.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 153.8
[M+Na]+ 242.162768 158.6
[M-H]- 218.166274 156.5
[M+NH4]+ 237.207373 168.8
[M+K]+ 258.136708 155.2
[M+H-H2O]+ 202.170810 144.9
[M+HCOO]- 264.171751 170.9
[M+CH3COO]- 278.187401 192.7
[M+Na-2H]- 240.148216 156.2
[M]+ 219.17300142 147.7
[M]- 219.17409858 147.7
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