CID 136575483

2193064-88-7

Structural Information

Molecular Formula
C8H17NO4
SMILES
C1C(C(CN1)(CO)CO)(CO)CO
InChI
InChI=1S/C8H17NO4/c10-3-7(4-11)1-9-2-8(7,5-12)6-13/h9-13H,1-6H2
InChIKey
HNMOUPWRJSRMNK-UHFFFAOYSA-N
Compound name
[3,4,4-tris(hydroxymethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.11575 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12303 141.6
[M+Na]+ 214.10497 147.4
[M+NH4]+ 209.14957 149.3
[M+K]+ 230.07891 143.1
[M-H]- 190.10847 138.0
[M+Na-2H]- 212.09042 144.6
[M]+ 191.11520 141.0
[M]- 191.11630 141.0
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

No patent data available for this compound.