CID 82652600

1517186-74-1

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1COCC2=CC(=CN21)C(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)6-3-7-5-12-2-1-9(7)4-6/h3-4H,1-2,5H2,(H,10,11)
InChIKey
JTYWROGUKJFFTQ-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

167.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.7
[M+Na]+ 190.04746 143.2
[M+NH4]+ 185.09206 140.6
[M+K]+ 206.02140 140.9
[M-H]- 166.05096 134.0
[M+Na-2H]- 188.03291 135.8
[M]+ 167.05769 134.2
[M]- 167.05879 134.2
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