CID 60007034

2059912-44-4

Structural Information

Molecular Formula
C8H17NO2
SMILES
C[C@@]1(CNC[C@@]1(C)CO)CO
InChI
InChI=1S/C8H17NO2/c1-7(5-10)3-9-4-8(7,2)6-11/h9-11H,3-6H2,1-2H3/t7-,8+
InChIKey
XVEKHHGNDIQIJC-OCAPTIKFSA-N
Compound name
[(3R,4S)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

159.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 135.3
[M+Na]+ 182.11515 143.4
[M+NH4]+ 177.15975 145.1
[M+K]+ 198.08909 137.3
[M-H]- 158.11865 134.0
[M+Na-2H]- 180.10060 140.4
[M]+ 159.12538 136.0
[M]- 159.12648 136.0
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