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]+ 198.069566 138.4
[M+Na]+ 220.051508 146.9
[M-H]- 196.055014 142.7
[M+NH4]+ 215.096113 160.0
[M+K]+ 236.025448 144.4
[M+H-H2O]+ 180.059550 132.1
[M+HCOO]- 242.060491 157.9
[M+CH3COO]- 256.076141 187.2
[M+Na-2H]- 218.036956 142.0
[M]+ 197.06174142 138.5
[M]- 197.06283858 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.