CID 27378

Brn 2858225

Structural Information

Molecular Formula
C13H19NO2S
SMILES
CC1=C(C=CC(=C1)SCC(=O)NO)CC(C)C
InChI
InChI=1S/C13H19NO2S/c1-9(2)6-11-4-5-12(7-10(11)3)17-8-13(15)14-16/h4-5,7,9,16H,6,8H2,1-3H3,(H,14,15)
InChIKey
YXSDKLCNFXXFEG-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[3-methyl-4-(2-methylpropyl)phenyl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.120926 158.2
[M+Na]+ 276.102868 164.0
[M-H]- 252.106374 160.4
[M+NH4]+ 271.147473 175.1
[M+K]+ 292.076808 160.5
[M+H-H2O]+ 236.110910 151.8
[M+HCOO]- 298.111851 174.1
[M+CH3COO]- 312.127501 196.0
[M+Na-2H]- 274.088316 157.4
[M]+ 253.11310142 160.6
[M]- 253.11419858 160.6
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.