CID 696236

N-(2-thienylmethylene)-1,3-benzodioxol-5-amine

Structural Information

Molecular Formula
C12H9NO2S
SMILES
C1OC2=C(O1)C=C(C=C2)N=CC3=CC=CS3
InChI
InChI=1S/C12H9NO2S/c1-2-10(16-5-1)7-13-9-3-4-11-12(6-9)15-8-14-11/h1-7H,8H2
InChIKey
TWKCGCHKEUVNLF-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

231.0354 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04268 147.8
[M+Na]+ 254.02462 157.7
[M-H]- 230.02812 159.0
[M+NH4]+ 249.06922 169.0
[M+K]+ 269.99856 157.0
[M+H-H2O]+ 214.03266 143.2
[M+HCOO]- 276.03360 169.7
[M+CH3COO]- 290.04925 162.7
[M+Na-2H]- 252.01007 152.5
[M]+ 231.03485 152.7
[M]- 231.03595 152.7
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

No patent data available for this compound.