CID 1810731

{[(2r)-oxolan-2-yl]methyl}thiourea

Structural Information

Molecular Formula
C6H12N2OS
SMILES
C1C[C@@H](OC1)CNC(=S)N
InChI
InChI=1S/C6H12N2OS/c7-6(10)8-4-5-2-1-3-9-5/h5H,1-4H2,(H3,7,8,10)/t5-/m1/s1
InChIKey
DYYSJNQVLWANCC-RXMQYKEDSA-N
Compound name
[(2R)-oxolan-2-yl]methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

160.06703 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07431 134.5
[M+Na]+ 183.05625 139.7
[M-H]- 159.05975 137.8
[M+NH4]+ 178.10085 155.2
[M+K]+ 199.03019 138.9
[M+H-H2O]+ 143.06429 128.7
[M+HCOO]- 205.06523 152.3
[M+CH3COO]- 219.08088 177.2
[M+Na-2H]- 181.04170 136.1
[M]+ 160.06648 131.4
[M]- 160.06758 131.4
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

patents stripe