CID 234308

5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC(C)CC1=NN=C(S1)N
InChI
InChI=1S/C6H11N3S/c1-4(2)3-5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKey
GOGZJIYMDRZJII-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

43
Patents

157.06737 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 131.8
[M+Na]+ 180.05659 140.8
[M-H]- 156.06009 133.0
[M+NH4]+ 175.10119 152.3
[M+K]+ 196.03053 138.8
[M+H-H2O]+ 140.06463 125.1
[M+HCOO]- 202.06557 149.6
[M+CH3COO]- 216.08122 177.7
[M+Na-2H]- 178.04204 133.1
[M]+ 157.06682 132.6
[M]- 157.06792 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe