CID 122164491

Tert-butyl n-[4-(methoxymethyl)thiophen-2-yl]carbamate

Structural Information

Molecular Formula
C11H17NO3S
SMILES
CC(C)(C)OC(=O)NC1=CC(=CS1)COC
InChI
InChI=1S/C11H17NO3S/c1-11(2,3)15-10(13)12-9-5-8(6-14-4)7-16-9/h5,7H,6H2,1-4H3,(H,12,13)
InChIKey
XPVKLFPBXDOGKK-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(methoxymethyl)thiophen-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.09291 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.100186 156.9
[M+Na]+ 266.082128 163.9
[M-H]- 242.085634 160.8
[M+NH4]+ 261.126733 176.8
[M+K]+ 282.056068 162.5
[M+H-H2O]+ 226.090170 151.2
[M+HCOO]- 288.091111 175.5
[M+CH3COO]- 302.106761 191.5
[M+Na-2H]- 264.067576 158.1
[M]+ 243.09236142 162.3
[M]- 243.09345858 162.3
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.