CID 98184

1,2-ethanediol, 1-(2-piperidyl)-

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

14
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.8
[M+Na]+ 168.099498 137.3
[M-H]- 144.103004 130.9
[M+NH4]+ 163.144103 151.3
[M+K]+ 184.073438 135.3
[M+H-H2O]+ 128.107540 128.1
[M+HCOO]- 190.108481 148.2
[M+CH3COO]- 204.124131 166.1
[M+Na-2H]- 166.084946 137.2
[M]+ 145.10973142 125.7
[M]- 145.11082858 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