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

13
Patents

156.03574 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 130.1
[M+Na]+ 179.02496 141.5
[M-H]- 155.02846 134.3
[M+NH4]+ 174.06956 145.6
[M+K]+ 194.99890 137.7
[M+H-H2O]+ 139.03300 123.4
[M+HCOO]- 201.03394 148.0
[M+CH3COO]- 215.04959 143.5
[M+Na-2H]- 177.01041 133.0
[M]+ 156.03519 133.8
[M]- 156.03629 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