CID 134160363

(2e)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoate

Structural Information

Molecular Formula
C10H7NO3
SMILES
[C-]#[N+]/C(=C/C1=CC=C(C=C1)O)/C(=O)O
InChI
InChI=1S/C10H7NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,12H,(H,13,14)/b9-6+
InChIKey
FGAAMKTYLMBGNP-RMKNXTFCSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

189.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 148.4
[M+Na]+ 212.031808 157.0
[M-H]- 188.035314 148.1
[M+NH4]+ 207.076413 163.7
[M+K]+ 228.005748 148.2
[M+H-H2O]+ 172.039850 141.2
[M+HCOO]- 234.040791 164.4
[M+CH3COO]- 248.056441 179.9
[M+Na-2H]- 210.017256 152.0
[M]+ 189.04204142 138.3
[M]- 189.04313858 138.3
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

No patent data available for this compound.