CID 21111709

4-(hydroxymethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1C(C(CN1)O)CO
InChI
InChI=1S/C5H11NO2/c7-3-4-1-6-2-5(4)8/h4-8H,1-3H2
InChIKey
BSQXZHMREYHKOM-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

117.07898 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 124.5
[M+Na]+ 140.068198 130.9
[M-H]- 116.071704 122.4
[M+NH4]+ 135.112803 145.3
[M+K]+ 156.042138 128.9
[M+H-H2O]+ 100.076240 119.4
[M+HCOO]- 162.077181 142.6
[M+CH3COO]- 176.092831 160.0
[M+Na-2H]- 138.053646 128.1
[M]+ 117.07843142 118.7
[M]- 117.07952858 118.7
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