CID 54198127

817555-02-5

Structural Information

Molecular Formula
C5H11NO
SMILES
C[C@H]1[C@H](CCN1)O
InChI
InChI=1S/C5H11NO/c1-4-5(7)2-3-6-4/h4-7H,2-3H2,1H3/t4-,5-/m0/s1
InChIKey
PNHQGHVFLXERHR-WHFBIAKZSA-N
Compound name
(2S,3S)-2-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
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 120.8
[M+Na]+ 124.07328 127.8
[M-H]- 100.07678 120.2
[M+NH4]+ 119.11788 143.2
[M+K]+ 140.04722 126.3
[M+H-H2O]+ 84.081320 115.8
[M+HCOO]- 146.08226 140.3
[M+CH3COO]- 160.09791 160.5
[M+Na-2H]- 122.05873 125.0
[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