CID 31518

2-methyl-1,3-benzodioxol-4-ol methylcarbamate

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC1OC2=C(O1)C(=CC=C2)OC(=O)NC
InChI
InChI=1S/C10H11NO4/c1-6-13-7-4-3-5-8(9(7)14-6)15-10(12)11-2/h3-6H,1-2H3,(H,11,12)
InChIKey
QHKDMSISFRSDRQ-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.6
[M+Na]+ 232.05802 151.0
[M-H]- 208.06152 148.9
[M+NH4]+ 227.10262 161.7
[M+K]+ 248.03196 152.1
[M+H-H2O]+ 192.06606 137.3
[M+HCOO]- 254.06700 165.3
[M+CH3COO]- 268.08265 186.5
[M+Na-2H]- 230.04347 149.7
[M]+ 209.06825 146.6
[M]- 209.06935 146.6
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

patents stripe