CID 63601948

1,3,3-trimethylpiperazin-2-one hydrochloride

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

39
Patents

142.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 130.7
[M+Na]+ 165.09983 138.6
[M-H]- 141.10333 130.3
[M+NH4]+ 160.14443 151.3
[M+K]+ 181.07377 137.1
[M+H-H2O]+ 125.10787 125.2
[M+HCOO]- 187.10881 147.9
[M+CH3COO]- 201.12446 172.1
[M+Na-2H]- 163.08528 136.3
[M]+ 142.11006 126.6
[M]- 142.11116 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