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]+ 254.12093 158.2
[M+Na]+ 276.10287 164.0
[M-H]- 252.10637 160.4
[M+NH4]+ 271.14747 175.1
[M+K]+ 292.07681 160.5
[M+H-H2O]+ 236.11091 151.8
[M+HCOO]- 298.11185 174.1
[M+CH3COO]- 312.12750 196.0
[M+Na-2H]- 274.08832 157.4
[M]+ 253.11310 160.6
[M]- 253.11420 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.