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]+ 238.10739 151.4
[M+Na]+ 260.08933 161.0
[M+NH4]+ 255.13393 159.9
[M+K]+ 276.06327 156.7
[M-H]- 236.09283 153.3
[M+Na-2H]- 258.07478 155.6
[M]+ 237.09956 153.2
[M]- 237.10066 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.