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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 130.9
[M+Na]+ 181.040608 140.6
[M-H]- 157.044114 131.2
[M+NH4]+ 176.085213 151.3
[M+K]+ 197.014548 138.3
[M+H-H2O]+ 141.048650 124.8
[M+HCOO]- 203.049591 148.2
[M+CH3COO]- 217.065241 172.1
[M+Na-2H]- 179.026056 133.4
[M]+ 158.05084142 133.7
[M]- 158.05193858 133.7
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

No patent data available for this compound.