CID 3853601

Piperidine-4,4-diol

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1CNCCC1(O)O
InChI
InChI=1S/C5H11NO2/c7-5(8)1-3-6-4-2-5/h6-8H,1-4H2
InChIKey
TUDHHJQPQZFEIH-UHFFFAOYSA-N
Compound name
piperidine-4,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

673
Patents

117.07898 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.9
[M+Na]+ 140.06820 130.5
[M-H]- 116.07170 122.7
[M+NH4]+ 135.11280 145.7
[M+K]+ 156.04214 128.7
[M+H-H2O]+ 100.07624 120.4
[M+HCOO]- 162.07718 141.0
[M+CH3COO]- 176.09283 158.7
[M+Na-2H]- 138.05365 131.7
[M]+ 117.07843 117.1
[M]- 117.07953 117.1
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