CID 643492

2-pyrrolidinemethanol, 1-methyl-, (2s)-

Structural Information

Molecular Formula
C6H13NO
SMILES
CN1CCC[C@H]1CO
InChI
InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKey
VCOJPHPOVDIRJK-LURJTMIESA-N
Compound name
[(2S)-1-methylpyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3247
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.5
[M+Na]+ 138.088938 131.5
[M-H]- 114.092444 125.1
[M+NH4]+ 133.133543 147.0
[M+K]+ 154.062878 130.6
[M+H-H2O]+ 98.096980 119.0
[M+HCOO]- 160.097921 145.2
[M+CH3COO]- 174.113571 166.2
[M+Na-2H]- 136.074386 128.7
[M]+ 115.09917142 121.5
[M]- 115.10026858 121.5
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