CID 3056398

Piperazine, 1-(2-chloroethyl)-3,3,4,5,5-pentamethyl-, dihydrochloride

Structural Information

Molecular Formula
C11H23ClN2
SMILES
CC1(CN(CC(N1C)(C)C)CCCl)C
InChI
InChI=1S/C11H23ClN2/c1-10(2)8-14(7-6-12)9-11(3,4)13(10)5/h6-9H2,1-5H3
InChIKey
XQSYXYORUOAARQ-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1,2,2,6,6-pentamethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16226 146.2
[M+Na]+ 241.14420 155.0
[M-H]- 217.14770 147.0
[M+NH4]+ 236.18880 167.7
[M+K]+ 257.11814 152.0
[M+H-H2O]+ 201.15224 141.5
[M+HCOO]- 263.15318 158.7
[M+CH3COO]- 277.16883 190.4
[M+Na-2H]- 239.12965 150.5
[M]+ 218.15443 147.0
[M]- 218.15553 147.0
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

No patent data available for this compound.