CID 2801738

39508-00-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)NN

InChI

InChI=1S/C12H18N2O4/c1-12(2,18-11(15)14-13)8-5-9(16-3)7-10(6-8)17-4/h5-7H,13H2,1-4H3,(H,14,15)

InChIKey

RDYVDEBOFNOSEU-UHFFFAOYSA-N

Compound name

2-(3,5-dimethoxyphenyl)propan-2-yl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 24
Patents: 254.12666 Da
Monoisotopic Mass: 1.2
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]+	255.13394	157.3
[M+Na]+	277.11588	166.0
[M+NH4]+	272.16048	162.9
[M+K]+	293.08982	162.8
[M-H]-	253.11938	157.8
[M+Na-2H]-	275.10133	161.3
[M]+	254.12611	158.3
[M]-	254.12721	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe