CID 135543300

3-cyclohexylaminomethylene-pentane-2,4-dione

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(=C(C=NC1CCCCC1)C(=O)C)O
InChI
InChI=1S/C12H19NO2/c1-9(14)12(10(2)15)8-13-11-6-4-3-5-7-11/h8,11,14H,3-7H2,1-2H3
InChIKey
DYXNDFDURPRUKQ-UHFFFAOYSA-N
Compound name
3-(cyclohexyliminomethyl)-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 150.7
[M+Na]+ 232.130808 153.0
[M-H]- 208.134314 152.8
[M+NH4]+ 227.175413 168.6
[M+K]+ 248.104748 151.7
[M+H-H2O]+ 192.138850 144.4
[M+HCOO]- 254.139791 168.9
[M+CH3COO]- 268.155441 189.0
[M+Na-2H]- 230.116256 150.8
[M]+ 209.14104142 145.3
[M]- 209.14213858 145.3
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.