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]+ 225.105606 147.2
[M+Na]+ 247.087548 154.6
[M-H]- 223.091054 154.8
[M+NH4]+ 242.132153 169.5
[M+K]+ 263.061488 151.0
[M+H-H2O]+ 207.095590 141.0
[M+HCOO]- 269.096531 168.8
[M+CH3COO]- 283.112181 189.5
[M+Na-2H]- 245.072996 150.5
[M]+ 224.09778142 145.7
[M]- 224.09887858 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.