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: 14
Patents: 158.05139 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.05867	131.4
[M+Na]+	181.04061	140.8
[M-H]-	157.04411	131.8
[M+NH4]+	176.08521	151.8
[M+K]+	197.01455	139.0
[M+H-H2O]+	141.04865	125.4
[M+HCOO]-	203.04959	147.6
[M+CH3COO]-	217.06524	173.0
[M+Na-2H]-	179.02606	132.8
[M]+	158.05084	133.6
[M]-	158.05194	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe