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 142.7
[M+Na]+ 214.10497 148.8
[M-H]- 190.10847 138.1
[M+NH4]+ 209.14957 163.1
[M+K]+ 230.07891 145.6
[M+H-H2O]+ 174.11301 139.5
[M+HCOO]- 236.11395 157.3
[M+CH3COO]- 250.12960 168.1
[M+Na-2H]- 212.09042 146.9
[M]+ 191.11520 138.3
[M]- 191.11630 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.