CID 31516

2-(1,1-dimethylethyl)-2-methyl-1,3-benzodioxol-4-ol methylcarbamate

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C(C)(C)C
InChI
InChI=1S/C14H19NO4/c1-13(2,3)14(4)18-10-8-6-7-9(11(10)19-14)17-12(16)15-5/h6-8H,1-5H3,(H,15,16)
InChIKey
ILSUYTFZLSJCID-UHFFFAOYSA-N
Compound name
(2-tert-butyl-2-methyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 159.8
[M+Na]+ 288.12062 167.9
[M-H]- 264.12412 166.0
[M+NH4]+ 283.16522 178.9
[M+K]+ 304.09456 168.9
[M+H-H2O]+ 248.12866 155.5
[M+HCOO]- 310.12960 179.5
[M+CH3COO]- 324.14525 197.8
[M+Na-2H]- 286.10607 167.3
[M]+ 265.13085 165.0
[M]- 265.13195 165.0
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