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]+ 192.123026 142.7
[M+Na]+ 214.104968 148.8
[M-H]- 190.108474 138.1
[M+NH4]+ 209.149573 163.1
[M+K]+ 230.078908 145.6
[M+H-H2O]+ 174.113010 139.5
[M+HCOO]- 236.113951 157.3
[M+CH3COO]- 250.129601 168.1
[M+Na-2H]- 212.090416 146.9
[M]+ 191.11520142 138.3
[M]- 191.11629858 138.3
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.