CID 11988

2-hydrazinobenzothiazole

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC=C2C(=C1)N=C(S2)NN
InChI
InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKey
JYSUYJCLUODSLN-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

1396
Patents

165.03607 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 126.9
[M+Na]+ 188.025288 137.6
[M-H]- 164.028794 130.9
[M+NH4]+ 183.069893 149.4
[M+K]+ 203.999228 133.9
[M+H-H2O]+ 148.033330 121.0
[M+HCOO]- 210.034271 149.4
[M+CH3COO]- 224.049921 141.6
[M+Na-2H]- 186.010736 134.2
[M]+ 165.03552142 128.2
[M]- 165.03661858 128.2
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