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]+ 244.10019 156.9
[M+Na]+ 266.08213 163.9
[M-H]- 242.08563 160.8
[M+NH4]+ 261.12673 176.8
[M+K]+ 282.05607 162.5
[M+H-H2O]+ 226.09017 151.2
[M+HCOO]- 288.09111 175.5
[M+CH3COO]- 302.10676 191.5
[M+Na-2H]- 264.06758 158.1
[M]+ 243.09236 162.3
[M]- 243.09346 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.