CID 98184

1-(piperidin-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1CCNC(C1)C(CO)O
InChI
InChI=1S/C7H15NO2/c9-5-7(10)6-3-1-2-4-8-6/h6-10H,1-5H2
InChIKey
XRAQFAXRTAWZCA-UHFFFAOYSA-N
Compound name
1-piperidin-2-ylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.8
[M+Na]+ 168.09950 137.3
[M-H]- 144.10300 130.9
[M+NH4]+ 163.14410 151.3
[M+K]+ 184.07344 135.3
[M+H-H2O]+ 128.10754 128.1
[M+HCOO]- 190.10848 148.2
[M+CH3COO]- 204.12413 166.1
[M+Na-2H]- 166.08495 137.2
[M]+ 145.10973 125.7
[M]- 145.11083 125.7
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