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]+ 156.04776 131.2
[M+Na]+ 178.02970 139.9
[M-H]- 154.03320 135.7
[M+NH4]+ 173.07430 154.6
[M+K]+ 194.00364 138.0
[M+H-H2O]+ 138.03774 126.0
[M+HCOO]- 200.03868 152.2
[M+CH3COO]- 214.05433 176.4
[M+Na-2H]- 176.01515 133.2
[M]+ 155.03993 133.0
[M]- 155.04103 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