CID 21973776

1,2,2-trimethylpiperazine

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1(CNCCN1C)C
InChI
InChI=1S/C7H16N2/c1-7(2)6-8-4-5-9(7)3/h8H,4-6H2,1-3H3
InChIKey
RFAPOGMFZTYBEW-UHFFFAOYSA-N
Compound name
1,2,2-trimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
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

literature stripe

Patent stripe

patents stripe