CID 4692541

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

Structural Information

Molecular Formula
C7H13N3S
SMILES
CC(C)(C)CC1=NN=C(S1)N
InChI
InChI=1S/C7H13N3S/c1-7(2,3)4-5-9-10-6(8)11-5/h4H2,1-3H3,(H2,8,10)
InChIKey
VCOZXURUMNAAAB-UHFFFAOYSA-N
Compound name
5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.08302 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 137.6
[M+Na]+ 194.07224 146.9
[M-H]- 170.07574 138.9
[M+NH4]+ 189.11684 157.8
[M+K]+ 210.04618 144.7
[M+H-H2O]+ 154.08028 131.4
[M+HCOO]- 216.08122 154.6
[M+CH3COO]- 230.09687 179.5
[M+Na-2H]- 192.05769 140.2
[M]+ 171.08247 138.8
[M]- 171.08357 138.8
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