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]+ 240.105276 148.9
[M+Na]+ 262.087218 157.3
[M-H]- 238.090724 156.6
[M+NH4]+ 257.131823 164.1
[M+K]+ 278.061158 154.1
[M+H-H2O]+ 222.095260 143.1
[M+HCOO]- 284.096201 167.5
[M+CH3COO]- 298.111851 193.8
[M+Na-2H]- 260.072666 150.7
[M]+ 239.09745142 154.5
[M]- 239.09854858 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.