CID 2761409

2-methyl-1-(piperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)C(=O)N1CCNCC1
InChI
InChI=1S/C8H16N2O/c1-7(2)8(11)10-5-3-9-4-6-10/h7,9H,3-6H2,1-2H3
InChIKey
JPULDXYXDMNTNT-UHFFFAOYSA-N
Compound name
2-methyl-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

657
Patents

156.12627 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 137.5
[M+Na]+ 179.115488 141.7
[M-H]- 155.118994 135.9
[M+NH4]+ 174.160093 154.7
[M+K]+ 195.089428 140.5
[M+H-H2O]+ 139.123530 130.6
[M+HCOO]- 201.124471 152.3
[M+CH3COO]- 215.140121 174.3
[M+Na-2H]- 177.100936 140.3
[M]+ 156.12572142 131.3
[M]- 156.12681858 131.3
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