CID 739318

72547-44-5

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CN1CCN(CC1)C(=O)CCC(=O)O
InChI
InChI=1S/C9H16N2O3/c1-10-4-6-11(7-5-10)8(12)2-3-9(13)14/h2-7H2,1H3,(H,13,14)
InChIKey
NZTQZEIZMMJXFG-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

113
Patents

200.11609 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 145.7
[M+Na]+ 223.10531 150.6
[M-H]- 199.10881 144.3
[M+NH4]+ 218.14991 161.2
[M+K]+ 239.07925 149.5
[M+H-H2O]+ 183.11335 138.6
[M+HCOO]- 245.11429 160.8
[M+CH3COO]- 259.12994 181.8
[M+Na-2H]- 221.09076 147.3
[M]+ 200.11554 142.4
[M]- 200.11664 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe