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

382
Patents

219.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.18083 153.8
[M+Na]+ 242.16277 158.6
[M-H]- 218.16627 156.5
[M+NH4]+ 237.20737 168.8
[M+K]+ 258.13671 155.2
[M+H-H2O]+ 202.17081 144.9
[M+HCOO]- 264.17175 170.9
[M+CH3COO]- 278.18740 192.7
[M+Na-2H]- 240.14822 156.2
[M]+ 219.17300 147.7
[M]- 219.17410 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