CID 124300071

1-{[(3-aminophenyl)methyl]imino}-1lambda6-thiolan-1-one

Structural Information

Molecular Formula
C11H16N2OS
SMILES
C1CCS(=NCC2=CC(=CC=C2)N)(=O)C1
InChI
InChI=1S/C11H16N2OS/c12-11-5-3-4-10(8-11)9-13-15(14)6-1-2-7-15/h3-5,8H,1-2,6-7,9,12H2
InChIKey
IUESDXAKVCAYIF-UHFFFAOYSA-N
Compound name
3-[[(1-oxothiolan-1-ylidene)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09833 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10561 147.2
[M+Na]+ 247.08755 154.6
[M-H]- 223.09105 154.8
[M+NH4]+ 242.13215 169.5
[M+K]+ 263.06149 151.0
[M+H-H2O]+ 207.09559 141.0
[M+HCOO]- 269.09653 168.8
[M+CH3COO]- 283.11218 189.5
[M+Na-2H]- 245.07300 150.5
[M]+ 224.09778 145.7
[M]- 224.09888 145.7
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.