CID 272104

Threomycin

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1C=CC(O1)C(C(=O)O)N
InChI
InChI=1S/C7H11NO3/c1-4-2-3-5(11-4)6(8)7(9)10/h2-6H,8H2,1H3,(H,9,10)
InChIKey
PNOKUGWGMLEAPE-UHFFFAOYSA-N
Compound name
2-amino-2-(5-methyl-2,5-dihydrofuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

167
Patents

157.0739 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 133.1
[M+Na]+ 180.06312 139.5
[M-H]- 156.06662 135.7
[M+NH4]+ 175.10772 153.1
[M+K]+ 196.03706 139.8
[M+H-H2O]+ 140.07116 128.0
[M+HCOO]- 202.07210 154.3
[M+CH3COO]- 216.08775 175.5
[M+Na-2H]- 178.04857 135.6
[M]+ 157.07335 131.1
[M]- 157.07445 131.1
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