CID 317628

Tert-butyl n-(furan-2-yl)carbamate

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC(C)(C)OC(=O)NC1=CC=CO1
InChI
InChI=1S/C9H13NO3/c1-9(2,3)13-8(11)10-7-5-4-6-12-7/h4-6H,1-3H3,(H,10,11)
InChIKey
QUPYDDORIVFDHP-UHFFFAOYSA-N
Compound name
tert-butyl N-(furan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

183.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 139.5
[M+Na]+ 206.078758 146.5
[M-H]- 182.082264 144.0
[M+NH4]+ 201.123363 159.7
[M+K]+ 222.052698 147.5
[M+H-H2O]+ 166.086800 134.3
[M+HCOO]- 228.087741 163.2
[M+CH3COO]- 242.103391 180.5
[M+Na-2H]- 204.064206 146.3
[M]+ 183.08899142 142.2
[M]- 183.09008858 142.2
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