CID 63601948

1207877-86-8

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC1(C(=O)N(CCN1)C)C
InChI
InChI=1S/C7H14N2O/c1-7(2)6(10)9(3)5-4-8-7/h8H,4-5H2,1-3H3
InChIKey
JHGKOTVMWVTJJF-UHFFFAOYSA-N
Compound name
1,3,3-trimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

142.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 130.7
[M+Na]+ 165.099828 138.6
[M-H]- 141.103334 130.3
[M+NH4]+ 160.144433 151.3
[M+K]+ 181.073768 137.1
[M+H-H2O]+ 125.107870 125.2
[M+HCOO]- 187.108811 147.9
[M+CH3COO]- 201.124461 172.1
[M+Na-2H]- 163.085276 136.3
[M]+ 142.11006142 126.6
[M]- 142.11115858 126.6
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