CID 170866

5-tert-butyl-n-methyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C7H13N3S
SMILES
CC(C)(C)C1=NN=C(S1)NC
InChI
InChI=1S/C7H13N3S/c1-7(2,3)5-9-10-6(8-4)11-5/h1-4H3,(H,8,10)
InChIKey
UMEJBYJALNGUQF-UHFFFAOYSA-N
Compound name
5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

171.08302 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 137.4
[M+Na]+ 194.07224 146.7
[M-H]- 170.07574 139.2
[M+NH4]+ 189.11684 157.9
[M+K]+ 210.04618 144.8
[M+H-H2O]+ 154.08028 131.1
[M+HCOO]- 216.08122 155.0
[M+CH3COO]- 230.09687 180.2
[M+Na-2H]- 192.05769 140.9
[M]+ 171.08247 139.6
[M]- 171.08357 139.6
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