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]+ 208.09682 143.2
[M+Na]+ 230.07876 152.1
[M-H]- 206.08226 148.5
[M+NH4]+ 225.12336 165.5
[M+K]+ 246.05270 151.3
[M+H-H2O]+ 190.08680 138.5
[M+HCOO]- 252.08774 165.6
[M+CH3COO]- 266.10339 186.6
[M+Na-2H]- 228.06421 149.1
[M]+ 207.08899 144.9
[M]- 207.09009 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.