CID 137698636

7-(methoxyimino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H11N3OS
SMILES
CO/N=C/1\CCCC2=C1SC(=N2)N
InChI
InChI=1S/C8H11N3OS/c1-12-11-6-4-2-3-5-7(6)13-8(9)10-5/h2-4H2,1H3,(H2,9,10)/b11-6+
InChIKey
JINSUVKOWMQGSF-IZZDOVSWSA-N
Compound name
(7E)-7-methoxyimino-5,6-dihydro-4H-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06229 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06957 138.4
[M+Na]+ 220.05151 146.9
[M-H]- 196.05501 142.7
[M+NH4]+ 215.09611 160.0
[M+K]+ 236.02545 144.4
[M+H-H2O]+ 180.05955 132.1
[M+HCOO]- 242.06049 157.9
[M+CH3COO]- 256.07614 187.2
[M+Na-2H]- 218.03696 142.0
[M]+ 197.06174 138.5
[M]- 197.06284 138.5
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.