CID 9570886

93599-00-9

Structural Information

Molecular Formula
C14H15NOS
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OC)/C
InChI
InChI=1S/C14H15NOS/c1-10-4-6-12(7-5-10)14-9-8-13(17-14)11(2)15-16-3/h4-9H,1-3H3/b15-11+
InChIKey
KOMPUIVLBAKAQI-RVDMUPIBSA-N
Compound name
(E)-N-methoxy-1-[5-(4-methylphenyl)thiophen-2-yl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08743 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.094706 155.7
[M+Na]+ 268.076648 164.2
[M-H]- 244.080154 164.5
[M+NH4]+ 263.121253 176.2
[M+K]+ 284.050588 160.9
[M+H-H2O]+ 228.084690 148.9
[M+HCOO]- 290.085631 177.6
[M+CH3COO]- 304.101281 196.7
[M+Na-2H]- 266.062096 156.5
[M]+ 245.08688142 159.9
[M]- 245.08797858 159.9
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.