CID 117548198

1-(3-ethyloxetan-3-yl)piperazine

Structural Information

Molecular Formula
C9H18N2O
SMILES
CCC1(COC1)N2CCNCC2
InChI
InChI=1S/C9H18N2O/c1-2-9(7-12-8-9)11-5-3-10-4-6-11/h10H,2-8H2,1H3
InChIKey
NBAXMNUXMLBSBQ-UHFFFAOYSA-N
Compound name
1-(3-ethyloxetan-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 136.5
[M+Na]+ 193.131118 139.9
[M-H]- 169.134624 138.5
[M+NH4]+ 188.175723 147.4
[M+K]+ 209.105058 142.4
[M+H-H2O]+ 153.139160 124.6
[M+HCOO]- 215.140101 150.4
[M+CH3COO]- 229.155751 178.5
[M+Na-2H]- 191.116566 142.8
[M]+ 170.14135142 139.5
[M]- 170.14244858 139.5
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.