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
[(3S,4R)-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 135.6
[M+Na]+ 182.11515 142.7
[M-H]- 158.11865 133.9
[M+NH4]+ 177.15975 158.9
[M+K]+ 198.08909 140.3
[M+H-H2O]+ 142.12319 132.2
[M+HCOO]- 204.12413 152.9
[M+CH3COO]- 218.13978 168.5
[M+Na-2H]- 180.10060 140.4
[M]+ 159.12538 131.8
[M]- 159.12648 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