CID 31522

Carbamic acid, dimethyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC1(OC2=C(O1)C(=CC=C2)OC(=O)N(C)C)C
InChI
InChI=1S/C12H15NO4/c1-12(2)16-9-7-5-6-8(10(9)17-12)15-11(14)13(3)4/h5-7H,1-4H3
InChIKey
SVHOZKTXNBRNOQ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.10011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 150.7
[M+Na]+ 260.089328 159.4
[M-H]- 236.092834 158.5
[M+NH4]+ 255.133933 171.4
[M+K]+ 276.063268 161.7
[M+H-H2O]+ 220.097370 145.9
[M+HCOO]- 282.098311 173.2
[M+CH3COO]- 296.113961 195.5
[M+Na-2H]- 258.074776 157.3
[M]+ 237.09956142 157.0
[M]- 237.10065858 157.0
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