CID 145915631

Tert-butyl n-(5-cyclopropylthiophen-2-yl)carbamate

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(S1)C2CC2
InChI
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-10-7-6-9(16-10)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
WOPCZEQTAXLVBM-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-cyclopropylthiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 148.9
[M+Na]+ 262.08722 157.3
[M-H]- 238.09072 156.6
[M+NH4]+ 257.13182 164.1
[M+K]+ 278.06116 154.1
[M+H-H2O]+ 222.09526 143.1
[M+HCOO]- 284.09620 167.5
[M+CH3COO]- 298.11185 193.8
[M+Na-2H]- 260.07267 150.7
[M]+ 239.09745 154.5
[M]- 239.09855 154.5
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.