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]+ 209.07431 141.7
[M+Na]+ 231.05625 147.7
[M-H]- 207.05975 145.9
[M+NH4]+ 226.10085 159.9
[M+K]+ 247.03019 145.0
[M+H-H2O]+ 191.06429 135.5
[M+HCOO]- 253.06523 157.7
[M+CH3COO]- 267.08088 187.9
[M+Na-2H]- 229.04170 146.8
[M]+ 208.06648 138.8
[M]- 208.06758 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.