CID 31514

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

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
InChI
InChI=1S/C12H15NO4/c1-4-12(2)16-9-7-5-6-8(10(9)17-12)15-11(14)13-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey
BKHCZBURUAMMRR-UHFFFAOYSA-N
Compound name
(2-ethyl-2-methyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.9
[M+Na]+ 260.08933 159.4
[M-H]- 236.09283 157.2
[M+NH4]+ 255.13393 170.9
[M+K]+ 276.06327 160.3
[M+H-H2O]+ 220.09737 146.1
[M+HCOO]- 282.09831 172.8
[M+CH3COO]- 296.11396 192.0
[M+Na-2H]- 258.07478 158.2
[M]+ 237.09956 155.9
[M]- 237.10066 155.9
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

patents stripe