CID 640091

L-prolinol

Structural Information

Molecular Formula
C5H11NO
SMILES
C1C[C@H](NC1)CO
InChI
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKey
HVVNJUAVDAZWCB-YFKPBYRVSA-N
Compound name
[(2S)-pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

81
References

14299
Patents

101.08406 Da
Monoisotopic Mass

-0.3
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

literature stripe

Patent stripe

patents stripe