CID 17832025

337904-88-8

Structural Information

Molecular Formula
C6H10N2OS
SMILES
CC(C)C1=NSC(=N1)CO
InChI
InChI=1S/C6H10N2OS/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3
InChIKey
FZEQFDKOVBEFJR-UHFFFAOYSA-N
Compound name
(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

158.05139 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 131.4
[M+Na]+ 181.040608 140.8
[M-H]- 157.044114 131.8
[M+NH4]+ 176.085213 151.8
[M+K]+ 197.014548 139.0
[M+H-H2O]+ 141.048650 125.4
[M+HCOO]- 203.049591 147.6
[M+CH3COO]- 217.065241 173.0
[M+Na-2H]- 179.026056 132.8
[M]+ 158.05084142 133.6
[M]- 158.05193858 133.6
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