CID 137935935

[3-(hydroxymethyl)-5-methylpyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1CC(CN1)(CO)CO
InChI
InChI=1S/C7H15NO2/c1-6-2-7(4-9,5-10)3-8-6/h6,8-10H,2-5H2,1H3
InChIKey
TZDDZKZDKISTIE-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-5-methylpyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.7
[M+Na]+ 168.09950 139.3
[M-H]- 144.10300 130.7
[M+NH4]+ 163.14410 154.5
[M+K]+ 184.07344 136.9
[M+H-H2O]+ 128.10754 128.3
[M+HCOO]- 190.10848 150.2
[M+CH3COO]- 204.12413 165.7
[M+Na-2H]- 166.08495 136.6
[M]+ 145.10973 128.0
[M]- 145.11083 128.0
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

No patent data available for this compound.