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
2
Annotation Hits

5
References

22
Patents

254.12666 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 157.0
[M+Na]+ 277.115878 163.4
[M-H]- 253.119384 160.5
[M+NH4]+ 272.160483 173.5
[M+K]+ 293.089818 163.1
[M+H-H2O]+ 237.123920 150.4
[M+HCOO]- 299.124861 180.5
[M+CH3COO]- 313.140511 199.4
[M+Na-2H]- 275.101326 161.4
[M]+ 254.12611142 160.0
[M]- 254.12720858 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe