CID 11051817

2-propanone, o-((2e)-3-chloro-2-propen-1-yl)oxime

Structural Information

Molecular Formula
C6H10ClNO
SMILES
CC(=NOC/C=C/Cl)C
InChI
InChI=1S/C6H10ClNO/c1-6(2)8-9-5-3-4-7/h3-4H,5H2,1-2H3/b4-3+
InChIKey
CETJAMWDGXFQPB-ONEGZZNKSA-N
Compound name
N-[(E)-3-chloroprop-2-enoxy]propan-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

147.04509 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 129.4
[M+Na]+ 170.034308 137.5
[M-H]- 146.037814 131.1
[M+NH4]+ 165.078913 152.2
[M+K]+ 186.008248 135.6
[M+H-H2O]+ 130.042350 125.5
[M+HCOO]- 192.043291 150.9
[M+CH3COO]- 206.058941 178.2
[M+Na-2H]- 168.019756 135.5
[M]+ 147.04454142 132.8
[M]- 147.04563858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe