CID 98613

34176-52-8

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NN
InChI
InChI=1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)
InChIKey
VTOUNUQLXMNNMQ-UHFFFAOYSA-N
Compound name
(4-phenyl-1,3-thiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

63
Patents

191.05171 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 136.4
[M+Na]+ 214.040928 145.2
[M-H]- 190.044434 142.1
[M+NH4]+ 209.085533 156.3
[M+K]+ 230.014868 141.0
[M+H-H2O]+ 174.048970 129.3
[M+HCOO]- 236.049911 158.3
[M+CH3COO]- 250.065561 149.9
[M+Na-2H]- 212.026376 140.9
[M]+ 191.05116142 135.5
[M]- 191.05225858 135.5
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