CID 10419376

1065478-29-6

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=CC(=NO1)/C=C/C(=O)O
InChI
InChI=1S/C7H7NO3/c1-5-4-6(8-11-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChIKey
CSBACZMGKKFGRY-NSCUHMNNSA-N
Compound name
(E)-3-(5-methyl-1,2-oxazol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 128.8
[M+Na]+ 176.03181 137.8
[M-H]- 152.03531 130.8
[M+NH4]+ 171.07641 148.4
[M+K]+ 192.00575 137.3
[M+H-H2O]+ 136.03985 123.3
[M+HCOO]- 198.04079 151.1
[M+CH3COO]- 212.05644 170.9
[M+Na-2H]- 174.01726 134.2
[M]+ 153.04204 130.4
[M]- 153.04314 130.4
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