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]+ 158.07465 131.0
[M+Na]+ 180.05659 140.3
[M-H]- 156.06009 132.1
[M+NH4]+ 175.10119 151.6
[M+K]+ 196.03053 137.9
[M+H-H2O]+ 140.06463 124.2
[M+HCOO]- 202.06557 149.8
[M+CH3COO]- 216.08122 176.8
[M+Na-2H]- 178.04204 133.4
[M]+ 157.06682 132.4
[M]- 157.06792 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