CID 131475447

2-(5-amino-1,3-benzothiazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C9H7N3S
SMILES
C1=CC2=C(C=C1N)N=C(S2)CC#N
InChI
InChI=1S/C9H7N3S/c10-4-3-9-12-7-5-6(11)1-2-8(7)13-9/h1-2,5H,3,11H2
InChIKey
VFBJAARTBSJOHQ-UHFFFAOYSA-N
Compound name
2-(5-amino-1,3-benzothiazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.03607 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04335 136.6
[M+Na]+ 212.02529 148.9
[M+NH4]+ 207.06989 142.6
[M+K]+ 227.99923 139.1
[M-H]- 188.02879 132.2
[M+Na-2H]- 210.01074 140.6
[M]+ 189.03552 136.7
[M]- 189.03662 136.7
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.