CID 107242

1-(2,4,6-trimethylpiperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C10H20N2O
SMILES
CCC(=O)N1C(CN(CC1C)C)C
InChI
InChI=1S/C10H20N2O/c1-5-10(13)12-8(2)6-11(4)7-9(12)3/h8-9H,5-7H2,1-4H3
InChIKey
JHFYKGNJFTVPPY-UHFFFAOYSA-N
Compound name
1-(2,4,6-trimethylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.164836 144.2
[M+Na]+ 207.146778 151.1
[M-H]- 183.150284 144.8
[M+NH4]+ 202.191383 162.1
[M+K]+ 223.120718 149.8
[M+H-H2O]+ 167.154820 137.4
[M+HCOO]- 229.155761 160.8
[M+CH3COO]- 243.171411 185.6
[M+Na-2H]- 205.132226 145.6
[M]+ 184.15701142 142.4
[M]- 184.15810858 142.4
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