CID 15817396

(3r,5s)-5-(hydroxymethyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1[C@H](CN[C@@H]1CO)O
InChI
InChI=1S/C5H11NO2/c7-3-4-1-5(8)2-6-4/h4-8H,1-3H2/t4-,5+/m0/s1
InChIKey
CALDMMCNNFPJSI-CRCLSJGQSA-N
Compound name
(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1818
Patents

117.07898 Da
Monoisotopic Mass

-1.3
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

literature stripe

Patent stripe

patents stripe