CID 75525862

3-methyl-5-[4-(propan-2-yl)piperazin-1-yl]aniline

Structural Information

Molecular Formula
C14H23N3
SMILES
CC1=CC(=CC(=C1)N2CCN(CC2)C(C)C)N
InChI
InChI=1S/C14H23N3/c1-11(2)16-4-6-17(7-5-16)14-9-12(3)8-13(15)10-14/h8-11H,4-7,15H2,1-3H3
InChIKey
RMXOEQNBXVIPIR-UHFFFAOYSA-N
Compound name
3-methyl-5-(4-propan-2-ylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.1892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 158.5
[M+Na]+ 256.178418 163.9
[M-H]- 232.181924 161.4
[M+NH4]+ 251.223023 173.3
[M+K]+ 272.152358 160.3
[M+H-H2O]+ 216.186460 149.7
[M+HCOO]- 278.187401 175.3
[M+CH3COO]- 292.203051 196.9
[M+Na-2H]- 254.163866 159.6
[M]+ 233.18865142 153.2
[M]- 233.18974858 153.2
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