CID 26183

13684-36-1

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCCCNC(=O)OC1=CC=CC(=C1)NC(=O)OC
InChI
InChI=1S/C13H18N2O4/c1-3-4-8-14-12(16)19-11-7-5-6-10(9-11)15-13(17)18-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKey
JGNLKFYGXRGIMJ-UHFFFAOYSA-N
Compound name
[3-(methoxycarbonylamino)phenyl] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.1
[M+Na]+ 289.11587 166.0
[M-H]- 265.11937 164.4
[M+NH4]+ 284.16047 177.0
[M+K]+ 305.08981 165.1
[M+H-H2O]+ 249.12391 153.5
[M+HCOO]- 311.12485 185.7
[M+CH3COO]- 325.14050 200.1
[M+Na-2H]- 287.10132 164.6
[M]+ 266.12610 164.0
[M]- 266.12720 164.0
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

No patent data available for this compound.