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]+ 146.117556 132.7
[M+Na]+ 168.099498 139.3
[M-H]- 144.103004 130.7
[M+NH4]+ 163.144103 154.5
[M+K]+ 184.073438 136.9
[M+H-H2O]+ 128.107540 128.3
[M+HCOO]- 190.108481 150.2
[M+CH3COO]- 204.124131 165.7
[M+Na-2H]- 166.084946 136.6
[M]+ 145.10973142 128.0
[M]- 145.11082858 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.