CID 7446911

D-beta-prolinol

Structural Information

Molecular Formula
C5H11NO
SMILES
C1CNC[C@H]1CO
InChI
InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m0/s1
InChIKey
QOTUIIJRVXKSJU-YFKPBYRVSA-N
Compound name
[(3S)-pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2386
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 121.2
[M+Na]+ 124.07328 127.2
[M-H]- 100.07678 120.2
[M+NH4]+ 119.11788 143.2
[M+K]+ 140.04722 125.7
[M+H-H2O]+ 84.081320 115.8
[M+HCOO]- 146.08226 140.7
[M+CH3COO]- 160.09791 159.4
[M+Na-2H]- 122.05873 126.1
[M]+ 101.08351 115.5
[M]- 101.08461 115.5
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