CID 2765758

(5,6,7,8-tetrahydronaphthalen-1-yl)thiourea

Structural Information

Molecular Formula
C11H14N2S
SMILES
C1CCC2=C(C1)C=CC=C2NC(=S)N
InChI
InChI=1S/C11H14N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H3,12,13,14)
InChIKey
SISDQWCAZUMWHN-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 141.7
[M+Na]+ 229.07699 147.2
[M-H]- 205.08049 145.0
[M+NH4]+ 224.12159 161.3
[M+K]+ 245.05093 142.9
[M+H-H2O]+ 189.08503 135.6
[M+HCOO]- 251.08597 157.9
[M+CH3COO]- 265.10162 188.8
[M+Na-2H]- 227.06244 145.5
[M]+ 206.08722 137.2
[M]- 206.08832 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe