CID 91332932

2-(pyrrolidin-1-yl)propane-1,3-diol

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1CCN(C1)C(CO)CO
InChI
InChI=1S/C7H15NO2/c9-5-7(6-10)8-3-1-2-4-8/h7,9-10H,1-6H2
InChIKey
DFFIMWGZWCJZEK-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.7
[M+Na]+ 168.09950 138.5
[M-H]- 144.10300 132.4
[M+NH4]+ 163.14410 153.8
[M+K]+ 184.07344 137.4
[M+H-H2O]+ 128.10754 127.8
[M+HCOO]- 190.10848 151.8
[M+CH3COO]- 204.12413 168.4
[M+Na-2H]- 166.08495 136.2
[M]+ 145.10973 129.6
[M]- 145.11083 129.6
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