CID 45693

Tert-amyl 2-furylcarbamate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)COC(=O)NC1=CC=CO1
InChI
InChI=1S/C10H15NO3/c1-10(2,3)7-14-9(12)11-8-5-4-6-13-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKey
XECPEDLWCKINAV-UHFFFAOYSA-N
Compound name
2,2-dimethylpropyl N-(furan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 144.3
[M+Na]+ 220.09442 150.9
[M-H]- 196.09792 148.6
[M+NH4]+ 215.13902 163.9
[M+K]+ 236.06836 151.6
[M+H-H2O]+ 180.10246 138.9
[M+HCOO]- 242.10340 167.7
[M+CH3COO]- 256.11905 183.5
[M+Na-2H]- 218.07987 150.6
[M]+ 197.10465 147.3
[M]- 197.10575 147.3
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

No patent data available for this compound.