CID 107019507

N-cyclopropyl-4-sulfanylbenzamide

Structural Information

Molecular Formula
C10H11NOS
SMILES
C1CC1NC(=O)C2=CC=C(C=C2)S
InChI
InChI=1S/C10H11NOS/c12-10(11-8-3-4-8)7-1-5-9(13)6-2-7/h1-2,5-6,8,13H,3-4H2,(H,11,12)
InChIKey
XXEUCHKSXARXHL-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.063416 134.2
[M+Na]+ 216.045358 143.2
[M-H]- 192.048864 142.1
[M+NH4]+ 211.089963 149.3
[M+K]+ 232.019298 139.6
[M+H-H2O]+ 176.053400 127.6
[M+HCOO]- 238.054341 154.3
[M+CH3COO]- 252.069991 187.1
[M+Na-2H]- 214.030806 138.3
[M]+ 193.05559142 137.4
[M]- 193.05668858 137.4
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.