CID 65210098

(4-propyl-1,2,3-thiadiazol-5-yl)methanol

Structural Information

Molecular Formula

C₆H₁₀N₂OS

SMILES

CCCC1=C(SN=N1)CO

InChI

InChI=1S/C6H10N2OS/c1-2-3-5-6(4-9)10-8-7-5/h9H,2-4H2,1H3

InChIKey

MFERYUGAEYDEKP-UHFFFAOYSA-N

Compound name

(4-propylthiadiazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.05139 Da
Monoisotopic Mass: 0.8
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	130.9
[M+Na]+	181.04061	140.6
[M-H]-	157.04411	131.2
[M+NH4]+	176.08521	151.3
[M+K]+	197.01455	138.3
[M+H-H2O]+	141.04865	124.8
[M+HCOO]-	203.04959	148.2
[M+CH3COO]-	217.06524	172.1
[M+Na-2H]-	179.02606	133.4
[M]+	158.05084	133.7
[M]-	158.05194	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.