CID 5381054

2-acetyl-5-methylthiophene oxime

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC1=CC=C(S1)/C(=N\O)/C
InChI
InChI=1S/C7H9NOS/c1-5-3-4-7(10-5)6(2)8-9/h3-4,9H,1-2H3/b8-6-
InChIKey
PSNLEFAJCBPCPQ-VURMDHGXSA-N
Compound name
(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

155.04048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 131.2
[M+Na]+ 178.029698 139.9
[M-H]- 154.033204 135.7
[M+NH4]+ 173.074303 154.6
[M+K]+ 194.003638 138.0
[M+H-H2O]+ 138.037740 126.0
[M+HCOO]- 200.038681 152.2
[M+CH3COO]- 214.054331 176.4
[M+Na-2H]- 176.015146 133.2
[M]+ 155.03993142 133.0
[M]- 155.04102858 133.0
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

patents stripe