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]+ 190.04987 148.4
[M+Na]+ 212.03181 157.0
[M-H]- 188.03531 148.1
[M+NH4]+ 207.07641 163.7
[M+K]+ 228.00575 148.2
[M+H-H2O]+ 172.03985 141.2
[M+HCOO]- 234.04079 164.4
[M+CH3COO]- 248.05644 179.9
[M+Na-2H]- 210.01726 152.0
[M]+ 189.04204 138.3
[M]- 189.04314 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.