CID 27975

3-hydroxycarbofuran

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
InChI
InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChIKey
RHSUJRQZTQNSLL-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

41
References

192
Patents

237.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.1
[M+Na]+ 260.08933 159.0
[M-H]- 236.09283 154.8
[M+NH4]+ 255.13393 171.0
[M+K]+ 276.06327 158.2
[M+H-H2O]+ 220.09737 145.7
[M+HCOO]- 282.09831 171.5
[M+CH3COO]- 296.11396 190.6
[M+Na-2H]- 258.07478 155.7
[M]+ 237.09956 153.1
[M]- 237.10066 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe