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]+ 234.19648 158.8
[M+Na]+ 256.17842 165.4
[M-H]- 232.18192 162.0
[M+NH4]+ 251.22302 174.0
[M+K]+ 272.15236 161.2
[M+H-H2O]+ 216.18646 150.1
[M+HCOO]- 278.18740 176.5
[M+CH3COO]- 292.20305 197.2
[M+Na-2H]- 254.16387 160.2
[M]+ 233.18865 154.5
[M]- 233.18975 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