CID 6914169

(thienyl-3)(gamma-diethylaminopropyl)ketoxime hydrochloride

Structural Information

Molecular Formula
C12H20N2OS
SMILES
CCN(CC)CCC/C(=N/O)/C1=CSC=C1
InChI
InChI=1S/C12H20N2OS/c1-3-14(4-2)8-5-6-12(13-15)11-7-9-16-10-11/h7,9-10,15H,3-6,8H2,1-2H3/b13-12-
InChIKey
YXOIFPANQMRWSA-SEYXRHQNSA-N
Compound name
(NZ)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13692 158.4
[M+Na]+ 263.11886 163.1
[M-H]- 239.12236 162.9
[M+NH4]+ 258.16346 178.2
[M+K]+ 279.09280 161.3
[M+H-H2O]+ 223.12690 151.1
[M+HCOO]- 285.12784 179.1
[M+CH3COO]- 299.14349 198.7
[M+Na-2H]- 261.10431 158.3
[M]+ 240.12909 162.1
[M]- 240.13019 162.1
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.