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]+ 183.112806 147.4
[M+Na]+ 205.094748 156.6
[M-H]- 181.098254 150.7
[M+NH4]+ 200.139353 159.5
[M+K]+ 221.068688 152.3
[M+H-H2O]+ 165.102790 139.9
[M+HCOO]- 227.103731 164.7
[M+CH3COO]- 241.119381 182.9
[M+Na-2H]- 203.080196 149.8
[M]+ 182.10498142 146.0
[M]- 182.10607858 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.