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

0
Patents

237.10011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.7
[M+Na]+ 260.08933 159.4
[M-H]- 236.09283 158.5
[M+NH4]+ 255.13393 171.4
[M+K]+ 276.06327 161.7
[M+H-H2O]+ 220.09737 145.9
[M+HCOO]- 282.09831 173.2
[M+CH3COO]- 296.11396 195.5
[M+Na-2H]- 258.07478 157.3
[M]+ 237.09956 157.0
[M]- 237.10066 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