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

2333
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 121.2
[M+Na]+ 124.073278 127.2
[M-H]- 100.076784 120.2
[M+NH4]+ 119.117883 143.2
[M+K]+ 140.047218 125.7
[M+H-H2O]+ 84.081320 115.8
[M+HCOO]- 146.082261 140.7
[M+CH3COO]- 160.097911 159.4
[M+Na-2H]- 122.058726 126.1
[M]+ 101.08351142 115.5
[M]- 101.08460858 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