CID 29873

19961-61-6

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)CNC(=O)OC1=CC=CC(=C1)NC(=O)OC
InChI
InChI=1S/C13H18N2O4/c1-9(2)8-14-12(16)19-11-6-4-5-10(7-11)15-13(17)18-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKey
IHMONZYYTNHVBE-UHFFFAOYSA-N
Compound name
[3-(methoxycarbonylamino)phenyl] N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.6
[M+Na]+ 289.115868 166.2
[M-H]- 265.119374 165.0
[M+NH4]+ 284.160473 177.4
[M+K]+ 305.089808 166.0
[M+H-H2O]+ 249.123910 154.2
[M+HCOO]- 311.124851 185.2
[M+CH3COO]- 325.140501 201.0
[M+Na-2H]- 287.101316 163.9
[M]+ 266.12610142 163.9
[M]- 266.12719858 163.9
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

No patent data available for this compound.