CID 10037153

Tert-butyl benzoyloxycarbamate

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)(C)OC(=O)NOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H15NO4/c1-12(2,3)16-11(15)13-17-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,15)
InChIKey
KMXMOOQVJSFNNK-UHFFFAOYSA-N
Compound name
[(2-methylpropan-2-yl)oxycarbonylamino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

237.10011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.8
[M+Na]+ 260.08933 158.7
[M-H]- 236.09283 156.4
[M+NH4]+ 255.13393 170.2
[M+K]+ 276.06327 158.5
[M+H-H2O]+ 220.09737 146.5
[M+HCOO]- 282.09831 175.2
[M+CH3COO]- 296.11396 190.3
[M+Na-2H]- 258.07478 158.1
[M]+ 237.09956 155.3
[M]- 237.10066 155.3
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