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]+ 194.06342 134.2
[M+Na]+ 216.04536 143.2
[M-H]- 192.04886 142.1
[M+NH4]+ 211.08996 149.3
[M+K]+ 232.01930 139.6
[M+H-H2O]+ 176.05340 127.6
[M+HCOO]- 238.05434 154.3
[M+CH3COO]- 252.06999 187.1
[M+Na-2H]- 214.03081 138.3
[M]+ 193.05559 137.4
[M]- 193.05669 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.