CID 167724864

(3s,5r)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)([C@H]1C[C@@H](CN1)O)O
InChI
InChI=1S/C7H15NO2/c1-7(2,10)6-3-5(9)4-8-6/h5-6,8-10H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKey
WFWLHUINESRNRA-NTSWFWBYSA-N
Compound name
(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 131.8
[M+Na]+ 168.09950 139.5
[M+NH4]+ 163.14410 138.6
[M+K]+ 184.07344 138.2
[M-H]- 144.10300 129.9
[M+Na-2H]- 166.08495 133.8
[M]+ 145.10973 131.9
[M]- 145.11083 131.9
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

No patent data available for this compound.