CID 13823107

(2e)-3-(3-methyl-1,2-oxazol-5-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=NOC(=C1)/C=C/C(=O)O
InChI
InChI=1S/C7H7NO3/c1-5-4-6(11-8-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChIKey
DHHITEOQNNYPNT-NSCUHMNNSA-N
Compound name
(E)-3-(3-methyl-1,2-oxazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

153.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 128.8
[M+Na]+ 176.031808 137.8
[M-H]- 152.035314 130.8
[M+NH4]+ 171.076413 148.4
[M+K]+ 192.005748 137.3
[M+H-H2O]+ 136.039850 123.3
[M+HCOO]- 198.040791 151.1
[M+CH3COO]- 212.056441 170.9
[M+Na-2H]- 174.017256 134.2
[M]+ 153.04204142 130.4
[M]- 153.04313858 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