CID 22367738

1,3,3-trimethylpiperazine

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1(CN(CCN1)C)C
InChI
InChI=1S/C7H16N2/c1-7(2)6-9(3)5-4-8-7/h8H,4-6H2,1-3H3
InChIKey
KVWMFPQRDKFZMP-UHFFFAOYSA-N
Compound name
1,3,3-trimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

128.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 129.6
[M+Na]+ 151.120568 136.3
[M-H]- 127.124074 128.8
[M+NH4]+ 146.165173 150.5
[M+K]+ 167.094508 134.9
[M+H-H2O]+ 111.128610 123.8
[M+HCOO]- 173.129551 146.4
[M+CH3COO]- 187.145201 169.8
[M+Na-2H]- 149.106016 135.8
[M]+ 128.13080142 124.3
[M]- 128.13189858 124.3
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