CID 75481681

Methyl 3-(piperazin-1-yl)oxetane-3-carboxylate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
COC(=O)C1(COC1)N2CCNCC2
InChI
InChI=1S/C9H16N2O3/c1-13-8(12)9(6-14-7-9)11-4-2-10-3-5-11/h10H,2-7H2,1H3
InChIKey
JAYJGEQVGGXCAY-UHFFFAOYSA-N
Compound name
methyl 3-piperazin-1-yloxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.11609 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 142.3
[M+Na]+ 223.10531 145.2
[M-H]- 199.10881 144.3
[M+NH4]+ 218.14991 151.6
[M+K]+ 239.07925 148.7
[M+H-H2O]+ 183.11335 130.1
[M+HCOO]- 245.11429 155.7
[M+CH3COO]- 259.12994 181.9
[M+Na-2H]- 221.09076 147.3
[M]+ 200.11554 146.6
[M]- 200.11664 146.6
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