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

193
Patents

170.1783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.18558 144.9
[M+Na]+ 193.16752 148.9
[M-H]- 169.17102 143.1
[M+NH4]+ 188.21212 161.9
[M+K]+ 209.14146 146.8
[M+H-H2O]+ 153.17556 138.1
[M+HCOO]- 215.17650 159.0
[M+CH3COO]- 229.19215 177.9
[M+Na-2H]- 191.15297 149.6
[M]+ 170.17775 139.4
[M]- 170.17885 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