CID 66223456

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

Structural Information

Molecular Formula
C7H11IN2S
SMILES
CC(C)(C)NC1=NC=C(S1)I
InChI
InChI=1S/C7H11IN2S/c1-7(2,3)10-6-9-4-5(8)11-6/h4H,1-3H3,(H,9,10)
InChIKey
NFSYCIYIFXBKQB-UHFFFAOYSA-N
Compound name
N-tert-butyl-5-iodo-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.96878 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.97606 148.0
[M+Na]+ 304.95800 149.8
[M-H]- 280.96150 144.1
[M+NH4]+ 300.00260 164.5
[M+K]+ 320.93194 153.5
[M+H-H2O]+ 264.96604 138.7
[M+HCOO]- 326.96698 161.7
[M+CH3COO]- 340.98263 188.9
[M+Na-2H]- 302.94345 139.1
[M]+ 281.96823 147.1
[M]- 281.96933 147.1
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

No patent data available for this compound.