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]+ 171.14918 136.5
[M+Na]+ 193.13112 139.9
[M-H]- 169.13462 138.5
[M+NH4]+ 188.17572 147.4
[M+K]+ 209.10506 142.4
[M+H-H2O]+ 153.13916 124.6
[M+HCOO]- 215.14010 150.4
[M+CH3COO]- 229.15575 178.5
[M+Na-2H]- 191.11657 142.8
[M]+ 170.14135 139.5
[M]- 170.14245 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.