CID 676485

5-tert-butyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC(C)(C)C1=CN=C(S1)N
InChI
InChI=1S/C7H12N2S/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3,(H2,8,9)
InChIKey
YPVUVTIITAMAPQ-UHFFFAOYSA-N
Compound name
5-tert-butyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

156.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 133.2
[M+Na]+ 179.06133 142.5
[M-H]- 155.06483 136.0
[M+NH4]+ 174.10593 155.4
[M+K]+ 195.03527 140.3
[M+H-H2O]+ 139.06937 127.9
[M+HCOO]- 201.07031 151.5
[M+CH3COO]- 215.08596 176.8
[M+Na-2H]- 177.04678 135.9
[M]+ 156.07156 134.0
[M]- 156.07266 134.0
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