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

230
Patents

128.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 129.6
[M+Na]+ 151.12057 136.3
[M-H]- 127.12407 128.8
[M+NH4]+ 146.16517 150.5
[M+K]+ 167.09451 134.9
[M+H-H2O]+ 111.12861 123.8
[M+HCOO]- 173.12955 146.4
[M+CH3COO]- 187.14520 169.8
[M+Na-2H]- 149.10602 135.8
[M]+ 128.13080 124.3
[M]- 128.13190 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