CID 6914398

P-chloroacetophenone-o-(2-pyrrolidinoethyl)oxime hydrochloride

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
C/C(=N/OCCN1CCCC1)/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17/h4-7H,2-3,8-11H2,1H3/b16-12-
InChIKey
PITONXVHZQRZMF-VBKFSLOCSA-N
Compound name
(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 163.2
[M+Na]+ 289.10782 168.9
[M-H]- 265.11132 168.8
[M+NH4]+ 284.15242 181.0
[M+K]+ 305.08176 164.7
[M+H-H2O]+ 249.11586 155.0
[M+HCOO]- 311.11680 181.4
[M+CH3COO]- 325.13245 198.9
[M+Na-2H]- 287.09327 164.9
[M]+ 266.11805 164.2
[M]- 266.11915 164.2
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.