CID 99414

Monomethyl karbutilate

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)NC
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)16-12(18)19-10-7-5-6-9(8-10)15-11(17)14-4/h5-8H,1-4H3,(H,16,18)(H2,14,15,17)
InChIKey
SSFHUMHURJORHS-UHFFFAOYSA-N
Compound name
[3-(methylcarbamoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 161.9
[M+Na]+ 288.13186 166.5
[M-H]- 264.13536 165.6
[M+NH4]+ 283.17646 177.8
[M+K]+ 304.10580 165.7
[M+H-H2O]+ 248.13990 154.9
[M+HCOO]- 310.14084 185.8
[M+CH3COO]- 324.15649 202.9
[M+Na-2H]- 286.11731 166.6
[M]+ 265.14209 162.1
[M]- 265.14319 162.1
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