CID 57416287

1-(oxetan-3-yl)piperazine

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CN(CCN1)C2COC2
InChI
InChI=1S/C7H14N2O/c1-3-9(4-2-8-1)7-5-10-6-7/h7-8H,1-6H2
InChIKey
AOYSLJHKVBSXRU-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1042
Patents

142.11061 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 125.6
[M+Na]+ 165.09983 128.9
[M-H]- 141.10333 127.4
[M+NH4]+ 160.14443 135.5
[M+K]+ 181.07377 131.7
[M+H-H2O]+ 125.10787 113.0
[M+HCOO]- 187.10881 140.1
[M+CH3COO]- 201.12446 173.1
[M+Na-2H]- 163.08528 132.1
[M]+ 142.11006 127.6
[M]- 142.11116 127.6
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