CID 62351767

3-cyclopropylpiperazin-2-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC1C2C(=O)NCCN2
InChI
InChI=1S/C7H12N2O/c10-7-6(5-1-2-5)8-3-4-9-7/h5-6,8H,1-4H2,(H,9,10)
InChIKey
LWCWDGZBZPNZNP-UHFFFAOYSA-N
Compound name
3-cyclopropylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

140.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 135.7
[M+Na]+ 163.08418 143.4
[M-H]- 139.08768 137.4
[M+NH4]+ 158.12878 148.3
[M+K]+ 179.05812 139.2
[M+H-H2O]+ 123.09222 128.4
[M+HCOO]- 185.09316 152.1
[M+CH3COO]- 199.10881 171.3
[M+Na-2H]- 161.06963 140.3
[M]+ 140.09441 130.4
[M]- 140.09551 130.4
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