CID 9570886

Brn 4421587

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]+ 246.09471 155.7
[M+Na]+ 268.07665 164.2
[M-H]- 244.08015 164.5
[M+NH4]+ 263.12125 176.2
[M+K]+ 284.05059 160.9
[M+H-H2O]+ 228.08469 148.9
[M+HCOO]- 290.08563 177.6
[M+CH3COO]- 304.10128 196.7
[M+Na-2H]- 266.06210 156.5
[M]+ 245.08688 159.9
[M]- 245.08798 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.