CID 54594482

6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)N1C(=O)CNCC1(C)C
InChI
InChI=1S/C9H18N2O/c1-7(2)11-8(12)5-10-6-9(11,3)4/h7,10H,5-6H2,1-4H3
InChIKey
LNUPKYZXVGHSNU-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-propan-2-ylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 139.4
[M+Na]+ 193.13112 146.2
[M-H]- 169.13462 138.7
[M+NH4]+ 188.17572 158.8
[M+K]+ 209.10506 144.6
[M+H-H2O]+ 153.13916 133.7
[M+HCOO]- 215.14010 154.9
[M+CH3COO]- 229.15575 179.0
[M+Na-2H]- 191.11657 142.7
[M]+ 170.14135 135.4
[M]- 170.14245 135.4
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