CID 6331336

Nsc669732

Structural Information

Molecular Formula
C16H21NO
SMILES
CN(C)CC1CCC/C(=C/C2=CC=CC=C2)/C1=O
InChI
InChI=1S/C16H21NO/c1-17(2)12-15-10-6-9-14(16(15)18)11-13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3/b14-11-
InChIKey
NMUPYXWTUNJHMK-KAMYIIQDSA-N
Compound name
(2Z)-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 157.7
[M+Na]+ 266.151528 162.1
[M-H]- 242.155034 164.8
[M+NH4]+ 261.196133 175.3
[M+K]+ 282.125468 159.1
[M+H-H2O]+ 226.159570 149.9
[M+HCOO]- 288.160511 179.2
[M+CH3COO]- 302.176161 199.3
[M+Na-2H]- 264.136976 159.9
[M]+ 243.16176142 154.4
[M]- 243.16285858 154.4
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

patents stripe