CID 53443341

Dtxsid90703078

Structural Information

Molecular Formula
C6H13N3OS
SMILES
CC1(CCCO1)NC(=S)NN
InChI
InChI=1S/C6H13N3OS/c1-6(3-2-4-10-6)8-5(11)9-7/h2-4,7H2,1H3,(H2,8,9,11)
InChIKey
UYGRZQJICTZFQY-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methyloxolan-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.07793 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08521 135.9
[M+Na]+ 198.06715 141.0
[M-H]- 174.07065 139.2
[M+NH4]+ 193.11175 157.5
[M+K]+ 214.04109 140.3
[M+H-H2O]+ 158.07519 130.6
[M+HCOO]- 220.07613 154.5
[M+CH3COO]- 234.09178 181.3
[M+Na-2H]- 196.05260 139.7
[M]+ 175.07738 132.2
[M]- 175.07848 132.2
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