CID 3043176

1-piperazinamine, 4-((2,4,6-trimethylphenyl)methyl)-, dimethanesulfonate

Structural Information

Molecular Formula
C14H23N3
SMILES
CC1=CC(=C(C(=C1)C)CN2CCN(CC2)N)C
InChI
InChI=1S/C14H23N3/c1-11-8-12(2)14(13(3)9-11)10-16-4-6-17(15)7-5-16/h8-9H,4-7,10,15H2,1-3H3
InChIKey
XWJMTWOZGBEHIE-UHFFFAOYSA-N
Compound name
4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.1892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 158.8
[M+Na]+ 256.178418 165.4
[M-H]- 232.181924 162.0
[M+NH4]+ 251.223023 174.0
[M+K]+ 272.152358 161.2
[M+H-H2O]+ 216.186460 150.1
[M+HCOO]- 278.187401 176.5
[M+CH3COO]- 292.203051 197.2
[M+Na-2H]- 254.163866 160.2
[M]+ 233.18865142 154.5
[M]- 233.18974858 154.5
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