CID 102537408

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

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1CC1C2=NN=C(S2)CO
InChI
InChI=1S/C6H8N2OS/c9-3-5-7-8-6(10-5)4-1-2-4/h4,9H,1-3H2
InChIKey
LQPRDUAARQJCOO-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

156.03574 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 130.1
[M+Na]+ 179.024958 141.5
[M-H]- 155.028464 134.3
[M+NH4]+ 174.069563 145.6
[M+K]+ 194.998898 137.7
[M+H-H2O]+ 139.033000 123.4
[M+HCOO]- 201.033941 148.0
[M+CH3COO]- 215.049591 143.5
[M+Na-2H]- 177.010406 133.0
[M]+ 156.03519142 133.8
[M]- 156.03628858 133.8
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