CID 15134414

141034-13-1

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CC2=CC=CC=C2[C@H]([C@@H]1O)NC(=S)N
InChI
InChI=1S/C11H14N2OS/c12-11(15)13-10-8-4-2-1-3-7(8)5-6-9(10)14/h1-4,9-10,14H,5-6H2,(H3,12,13,15)/t9-,10-/m1/s1
InChIKey
RJYUQSSRJOZYRV-NXEZZACHSA-N
Compound name
[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 145.2
[M+Na]+ 245.07191 151.0
[M-H]- 221.07541 147.3
[M+NH4]+ 240.11651 163.6
[M+K]+ 261.04585 146.3
[M+H-H2O]+ 205.07995 139.4
[M+HCOO]- 267.08089 160.0
[M+CH3COO]- 281.09654 189.7
[M+Na-2H]- 243.05736 148.0
[M]+ 222.08214 140.7
[M]- 222.08324 140.7
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.