CID 135650096

1160246-15-0

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1CC1C2=NOC3=C2C(=CC(=O)N3)C(=O)O
InChI
InChI=1S/C10H8N2O4/c13-6-3-5(10(14)15)7-8(4-1-2-4)12-16-9(7)11-6/h3-4H,1-2H2,(H,11,13)(H,14,15)
InChIKey
DBKMWQSRPPIHOQ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-6-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

220.0484 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 146.8
[M+Na]+ 243.03762 160.0
[M-H]- 219.04112 151.9
[M+NH4]+ 238.08222 158.3
[M+K]+ 259.01156 155.3
[M+H-H2O]+ 203.04566 140.2
[M+HCOO]- 265.04660 166.8
[M+CH3COO]- 279.06225 159.7
[M+Na-2H]- 241.02307 152.3
[M]+ 220.04785 152.0
[M]- 220.04895 152.0
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