CID 29374

N-hydroxymethylcarbofuran

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCO)C
InChI
InChI=1S/C12H15NO4/c1-12(2)6-8-4-3-5-9(10(8)17-12)16-11(15)13-7-14/h3-5,14H,6-7H2,1-2H3,(H,13,15)
InChIKey
KOSJTCHIQRJJLQ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 150.6
[M+Na]+ 260.089328 158.6
[M-H]- 236.092834 154.9
[M+NH4]+ 255.133933 171.2
[M+K]+ 276.063268 157.7
[M+H-H2O]+ 220.097370 145.9
[M+HCOO]- 282.098311 172.0
[M+CH3COO]- 296.113961 189.3
[M+Na-2H]- 258.074776 156.8
[M]+ 237.09956142 153.2
[M]- 237.10065858 153.2
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.