CID 29002042

4-(tert-butoxy)benzene-1-carbothioamide

Structural Information

Molecular Formula
C11H15NOS
SMILES
CC(C)(C)OC1=CC=C(C=C1)C(=S)N
InChI
InChI=1S/C11H15NOS/c1-11(2,3)13-9-6-4-8(5-7-9)10(12)14/h4-7H,1-3H3,(H2,12,14)
InChIKey
VAEZVEPJNVRCFQ-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxy]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 146.6
[M+Na]+ 232.07665 153.8
[M-H]- 208.08015 150.0
[M+NH4]+ 227.12125 165.8
[M+K]+ 248.05059 150.7
[M+H-H2O]+ 192.08469 140.9
[M+HCOO]- 254.08563 163.4
[M+CH3COO]- 268.10128 188.1
[M+Na-2H]- 230.06210 148.7
[M]+ 209.08688 147.5
[M]- 209.08798 147.5
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.