CID 12188410

2-azido-1,3-thiazole

Structural Information

Molecular Formula
C3H2N4S
SMILES
C1=CSC(=N1)N=[N+]=[N-]
InChI
InChI=1S/C3H2N4S/c4-7-6-3-5-1-2-8-3/h1-2H
InChIKey
CFWLDMPZIUKHAC-UHFFFAOYSA-N
Compound name
2-azido-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

126.000015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00729 117.2
[M+Na]+ 148.98923 126.1
[M-H]- 124.99274 123.0
[M+NH4]+ 144.03384 140.3
[M+K]+ 164.96317 120.7
[M+H-H2O]+ 108.99728 114.8
[M+HCOO]- 170.99822 144.5
[M+CH3COO]- 185.01387 170.0
[M+Na-2H]- 146.97468 126.6
[M]+ 125.99947 115.7
[M]- 126.00056 115.7
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