CID 6914170

(thienyl-3)(gamma-n-pyrrolidinopropyl)ketoxime 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]+ 239.12126 156.6
[M+Na]+ 261.10320 161.8
[M-H]- 237.10670 161.7
[M+NH4]+ 256.14780 176.5
[M+K]+ 277.07714 159.2
[M+H-H2O]+ 221.11124 149.4
[M+HCOO]- 283.11218 174.5
[M+CH3COO]- 297.12783 189.5
[M+Na-2H]- 259.08865 155.0
[M]+ 238.11343 156.2
[M]- 238.11453 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.