CID 43133217

Sodium 2-[4-(hydroxymethyl)piperidin-1-yl]acetate

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1CN(CCC1CO)CC(=O)O
InChI
InChI=1S/C8H15NO3/c10-6-7-1-3-9(4-2-7)5-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKey
MJXKLHUHRNODKL-UHFFFAOYSA-N
Compound name
2-[4-(hydroxymethyl)piperidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

173.1052 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.6
[M+Na]+ 196.09442 143.3
[M-H]- 172.09792 137.3
[M+NH4]+ 191.13902 155.9
[M+K]+ 212.06836 141.9
[M+H-H2O]+ 156.10246 132.6
[M+HCOO]- 218.10340 154.7
[M+CH3COO]- 232.11905 174.1
[M+Na-2H]- 194.07987 141.4
[M]+ 173.10465 134.0
[M]- 173.10575 134.0
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