CID 302991

Nsc190763

Structural Information

Molecular Formula
C11H15NOS
SMILES
CCCCSC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H15NOS/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKey
RBMBWWIPNLXVQS-UHFFFAOYSA-N
Compound name
S-butyl N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

209.08743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 146.4
[M+Na]+ 232.07665 152.4
[M-H]- 208.08015 149.7
[M+NH4]+ 227.12125 165.5
[M+K]+ 248.05059 149.2
[M+H-H2O]+ 192.08469 139.9
[M+HCOO]- 254.08563 165.4
[M+CH3COO]- 268.10128 186.6
[M+Na-2H]- 230.06210 149.4
[M]+ 209.08688 148.3
[M]- 209.08798 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe