CID 3050259

2-hydroxymethylclavam

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1[C@H]2N(C1=O)C[C@@H](O2)CO
InChI
InChI=1S/C6H9NO3/c8-3-4-2-7-5(9)1-6(7)10-4/h4,6,8H,1-3H2/t4-,6+/m1/s1
InChIKey
CRVXTEJTLQIKDI-XINAWCOVSA-N
Compound name
(3R,5S)-3-(hydroxymethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

246
Patents

143.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 120.2
[M+Na]+ 166.04746 127.3
[M-H]- 142.05096 122.9
[M+NH4]+ 161.09206 135.0
[M+K]+ 182.02140 130.4
[M+H-H2O]+ 126.05550 110.9
[M+HCOO]- 188.05644 138.8
[M+CH3COO]- 202.07209 174.0
[M+Na-2H]- 164.03291 126.3
[M]+ 143.05769 129.0
[M]- 143.05879 129.0
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