CID 15077483

2-[(1-methyl-1h-imidazol-2-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C10H11N3S
SMILES
CN1C=CN=C1SC2=CC=CC=C2N
InChI
InChI=1S/C10H11N3S/c1-13-7-6-12-10(13)14-9-5-3-2-4-8(9)11/h2-7H,11H2,1H3
InChIKey
VQHURTPGQMKPMZ-UHFFFAOYSA-N
Compound name
2-(1-methylimidazol-2-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07465 142.2
[M+Na]+ 228.05659 152.5
[M-H]- 204.06009 147.0
[M+NH4]+ 223.10119 161.0
[M+K]+ 244.03053 148.1
[M+H-H2O]+ 188.06463 134.9
[M+HCOO]- 250.06557 161.6
[M+CH3COO]- 264.08122 155.6
[M+Na-2H]- 226.04204 144.7
[M]+ 205.06682 143.3
[M]- 205.06792 143.3
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.