CID 155943360

1-(4-cyclopropyl-1,2,3-thiadiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CC(C1=C(N=NS1)C2CC2)O
InChI
InChI=1S/C7H10N2OS/c1-4(10)7-6(5-2-3-5)8-9-11-7/h4-5,10H,2-3H2,1H3
InChIKey
IODINCCVXBGRQL-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylthiadiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 133.9
[M+Na]+ 193.04061 144.5
[M-H]- 169.04411 138.0
[M+NH4]+ 188.08521 148.7
[M+K]+ 209.01455 140.9
[M+H-H2O]+ 153.04865 127.1
[M+HCOO]- 215.04959 150.5
[M+CH3COO]- 229.06524 178.1
[M+Na-2H]- 191.02606 135.3
[M]+ 170.05084 137.4
[M]- 170.05194 137.4
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.