CID 5716583

Nsc669733

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1=CC=C(C=C1)/C=C\2/CCCC(C2=O)CN(C)C
InChI
InChI=1S/C17H23NO/c1-13-7-9-14(10-8-13)11-15-5-4-6-16(17(15)19)12-18(2)3/h7-11,16H,4-6,12H2,1-3H3/b15-11-
InChIKey
QOCSMRCWFGVLHP-PTNGSMBKSA-N
Compound name
(6Z)-2-[(dimethylamino)methyl]-6-[(4-methylphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 161.7
[M+Na]+ 280.16720 166.7
[M-H]- 256.17070 169.0
[M+NH4]+ 275.21180 179.1
[M+K]+ 296.14114 163.5
[M+H-H2O]+ 240.17524 154.0
[M+HCOO]- 302.17618 182.9
[M+CH3COO]- 316.19183 203.5
[M+Na-2H]- 278.15265 162.7
[M]+ 257.17743 159.2
[M]- 257.17853 159.2
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.