CID 57586038

1-(oxan-3-yl)piperazine

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CC(COC1)N2CCNCC2
InChI
InChI=1S/C9H18N2O/c1-2-9(8-12-7-1)11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKey
NECAOEAZNSQZNA-UHFFFAOYSA-N
Compound name
1-(oxan-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 140.6
[M+Na]+ 193.13112 142.7
[M-H]- 169.13462 141.7
[M+NH4]+ 188.17572 155.2
[M+K]+ 209.10506 141.7
[M+H-H2O]+ 153.13916 132.0
[M+HCOO]- 215.14010 153.0
[M+CH3COO]- 229.15575 150.2
[M+Na-2H]- 191.11657 145.3
[M]+ 170.14135 130.4
[M]- 170.14245 130.4
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