CID 54595318

(3,4-dihydro-2h-1-benzopyran-4-yl)thiourea

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C1COC2=CC=CC=C2C1NC(=S)N
InChI
InChI=1S/C10H12N2OS/c11-10(14)12-8-5-6-13-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H3,11,12,14)
InChIKey
FSKVFCGNLMTRFY-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-4-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 141.7
[M+Na]+ 231.056248 147.7
[M-H]- 207.059754 145.9
[M+NH4]+ 226.100853 159.9
[M+K]+ 247.030188 145.0
[M+H-H2O]+ 191.064290 135.5
[M+HCOO]- 253.065231 157.7
[M+CH3COO]- 267.080881 187.9
[M+Na-2H]- 229.041696 146.8
[M]+ 208.06648142 138.8
[M]- 208.06757858 138.8
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.