CID 64878615

1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1C(=O)N(CC(=O)N1)CC2CC2
InChI
InChI=1S/C9H14N2O2/c1-6-9(13)11(4-7-2-3-7)5-8(12)10-6/h6-7H,2-5H2,1H3,(H,10,12)
InChIKey
DOUNYJNELPRGFX-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 147.4
[M+Na]+ 205.09475 156.6
[M-H]- 181.09825 150.7
[M+NH4]+ 200.13935 159.5
[M+K]+ 221.06869 152.3
[M+H-H2O]+ 165.10279 139.9
[M+HCOO]- 227.10373 164.7
[M+CH3COO]- 241.11938 182.9
[M+Na-2H]- 203.08020 149.8
[M]+ 182.10498 146.0
[M]- 182.10608 146.0
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

No patent data available for this compound.