CID 6914170

1-butanone, 4-(1-pyrrolidinyl)-1-(3-thienyl)-, oxime, hydrochloride

Structural Information

Molecular Formula
C12H18N2OS
SMILES
C1CCN(C1)CCC/C(=N/O)/C2=CSC=C2
InChI
InChI=1S/C12H18N2OS/c15-13-12(11-5-9-16-10-11)4-3-8-14-6-1-2-7-14/h5,9-10,15H,1-4,6-8H2/b13-12-
InChIKey
PURIRYYWXHLNAS-SEYXRHQNSA-N
Compound name
(NZ)-N-(4-pyrrolidin-1-yl-1-thiophen-3-ylbutylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11398 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.121256 156.6
[M+Na]+ 261.103198 161.8
[M-H]- 237.106704 161.7
[M+NH4]+ 256.147803 176.5
[M+K]+ 277.077138 159.2
[M+H-H2O]+ 221.111240 149.4
[M+HCOO]- 283.112181 174.5
[M+CH3COO]- 297.127831 189.5
[M+Na-2H]- 259.088646 155.0
[M]+ 238.11343142 156.2
[M]- 238.11452858 156.2
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.