CID 31517

22791-20-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CC1=C2C(=C(C=C1)OC(=O)NC)OC(O2)(C)C

InChI

InChI=1S/C12H15NO4/c1-7-5-6-8(15-11(14)13-4)10-9(7)16-12(2,3)17-10/h5-6H,1-4H3,(H,13,14)

InChIKey

QRVOHSBDBLBNPZ-UHFFFAOYSA-N

Compound name

(2,2,7-trimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.10011 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.107386	150.4
[M+Na]+	260.089328	159.8
[M-H]-	236.092834	157.1
[M+NH4]+	255.133933	170.7
[M+K]+	276.063268	160.7
[M+H-H2O]+	220.097370	145.9
[M+HCOO]-	282.098311	172.3
[M+CH3COO]-	296.113961	193.3
[M+Na-2H]-	258.074776	157.1
[M]+	237.09956142	155.9
[M]-	237.10065858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe