CID 65726171

3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=NN=C(S1)CCCN
InChI
InChI=1S/C6H11N3S/c1-5-8-9-6(10-5)3-2-4-7/h2-4,7H2,1H3
InChIKey
FZZCFDPMVHKVIH-UHFFFAOYSA-N
Compound name
3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.06737 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.074646 131.0
[M+Na]+ 180.056588 140.3
[M-H]- 156.060094 132.1
[M+NH4]+ 175.101193 151.6
[M+K]+ 196.030528 137.9
[M+H-H2O]+ 140.064630 124.2
[M+HCOO]- 202.065571 149.8
[M+CH3COO]- 216.081221 176.8
[M+Na-2H]- 178.042036 133.4
[M]+ 157.06682142 132.4
[M]- 157.06791858 132.4
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

patents stripe