CID 53397349

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

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1=NN=C(S1)CO
InChI
InChI=1S/C4H6N2OS/c1-3-5-6-4(2-7)8-3/h7H,2H2,1H3
InChIKey
LZCLPLGMVCURFT-UHFFFAOYSA-N
Compound name
(5-methyl-1,3,4-thiadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

130.02008 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 122.1
[M+Na]+ 153.009298 132.6
[M-H]- 129.012804 122.7
[M+NH4]+ 148.053903 143.6
[M+K]+ 168.983238 130.8
[M+H-H2O]+ 113.017340 116.4
[M+HCOO]- 175.018281 140.0
[M+CH3COO]- 189.033931 166.1
[M+Na-2H]- 150.994746 125.5
[M]+ 130.01953142 124.1
[M]- 130.02062858 124.1
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