CID 57802

4-benzofuranol, 2,3-dihydro-2,2-dimethyl-, carbamate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1(CC2=C(O1)C=CC=C2OC(=O)N)C
InChI
InChI=1S/C11H13NO3/c1-11(2)6-7-8(14-10(12)13)4-3-5-9(7)15-11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKey
QWMCXKPUWNTGIZ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-4-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 143.2
[M+Na]+ 230.078758 152.1
[M-H]- 206.082264 148.5
[M+NH4]+ 225.123363 165.5
[M+K]+ 246.052698 151.3
[M+H-H2O]+ 190.086800 138.5
[M+HCOO]- 252.087741 165.6
[M+CH3COO]- 266.103391 186.6
[M+Na-2H]- 228.064206 149.1
[M]+ 207.08899142 144.9
[M]- 207.09008858 144.9
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.