CID 60007034

[(3s,4r)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol hydrochloride

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

30
Patents

159.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 135.6
[M+Na]+ 182.115148 142.7
[M-H]- 158.118654 133.9
[M+NH4]+ 177.159753 158.9
[M+K]+ 198.089088 140.3
[M+H-H2O]+ 142.123190 132.2
[M+HCOO]- 204.124131 152.9
[M+CH3COO]- 218.139781 168.5
[M+Na-2H]- 180.100596 140.4
[M]+ 159.12538142 131.8
[M]- 159.12647858 131.8
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