CID 71649879

3-(hydroxymethyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1CNCC1(CO)O
InChI
InChI=1S/C5H11NO2/c7-4-5(8)1-2-6-3-5/h6-8H,1-4H2
InChIKey
IEVFAEYHOYSFTH-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

117.07898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 124.4
[M+Na]+ 140.068198 130.9
[M-H]- 116.071704 122.4
[M+NH4]+ 135.112803 147.1
[M+K]+ 156.042138 129.0
[M+H-H2O]+ 100.076240 120.1
[M+HCOO]- 162.077181 142.7
[M+CH3COO]- 176.092831 158.5
[M+Na-2H]- 138.053646 130.0
[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