CID 11288582

57699-88-4

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)NNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-14-11(16)18-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKey
SBXLAJWMWLOZET-UHFFFAOYSA-N
Compound name
benzyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

266.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.4
[M+Na]+ 289.11587 166.0
[M-H]- 265.11937 164.8
[M+NH4]+ 284.16047 177.3
[M+K]+ 305.08981 165.6
[M+H-H2O]+ 249.12391 154.5
[M+HCOO]- 311.12485 184.6
[M+CH3COO]- 325.14050 197.9
[M+Na-2H]- 287.10132 166.6
[M]+ 266.12610 163.4
[M]- 266.12720 163.4
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