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

89
Patents

117.07898 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.5
[M+Na]+ 140.06820 130.9
[M-H]- 116.07170 122.4
[M+NH4]+ 135.11280 145.3
[M+K]+ 156.04214 128.9
[M+H-H2O]+ 100.07624 119.4
[M+HCOO]- 162.07718 142.6
[M+CH3COO]- 176.09283 160.0
[M+Na-2H]- 138.05365 128.1
[M]+ 117.07843 118.7
[M]- 117.07953 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