CID 22866750

2742623-66-9

Structural Information

Molecular Formula
C5H11NO2
SMILES
CN1C[C@H]([C@H](C1)O)O
InChI
InChI=1S/C5H11NO2/c1-6-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3/t4-,5+
InChIKey
VJSWVPMFOHDBHG-SYDPRGILSA-N
Compound name
(3R,4S)-1-methylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

117.07898 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 123.1
[M+Na]+ 140.068198 131.0
[M-H]- 116.071704 122.9
[M+NH4]+ 135.112803 145.1
[M+K]+ 156.042138 129.9
[M+H-H2O]+ 100.076240 118.3
[M+HCOO]- 162.077181 142.9
[M+CH3COO]- 176.092831 163.7
[M+Na-2H]- 138.053646 126.7
[M]+ 117.07843142 119.7
[M]- 117.07952858 119.7
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