CID 23112345

1-(3,3-dimethylbutyl)piperazine

Structural Information

Molecular Formula
C10H22N2
SMILES
CC(C)(C)CCN1CCNCC1
InChI
InChI=1S/C10H22N2/c1-10(2,3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3
InChIKey
LFDFICUWQKREJW-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylbutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

170.1783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 144.9
[M+Na]+ 193.167518 148.9
[M-H]- 169.171024 143.1
[M+NH4]+ 188.212123 161.9
[M+K]+ 209.141458 146.8
[M+H-H2O]+ 153.175560 138.1
[M+HCOO]- 215.176501 159.0
[M+CH3COO]- 229.192151 177.9
[M+Na-2H]- 191.152966 149.6
[M]+ 170.17775142 139.4
[M]- 170.17884858 139.4
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