CID 3021296

88599-41-1

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC(C)OC(=O)C1=CC=CC=C1OC(=O)N
InChI
InChI=1S/C11H13NO4/c1-7(2)15-10(13)8-5-3-4-6-9(8)16-11(12)14/h3-7H,1-2H3,(H2,12,14)
InChIKey
PPKPDEXFZGRPNQ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 148.3
[M+Na]+ 246.07368 154.6
[M-H]- 222.07718 151.6
[M+NH4]+ 241.11828 165.8
[M+K]+ 262.04762 154.3
[M+H-H2O]+ 206.08172 141.8
[M+HCOO]- 268.08266 170.9
[M+CH3COO]- 282.09831 190.6
[M+Na-2H]- 244.05913 150.2
[M]+ 223.08391 149.8
[M]- 223.08501 149.8
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.