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]+ 244.16959 157.7
[M+Na]+ 266.15153 162.1
[M-H]- 242.15503 164.8
[M+NH4]+ 261.19613 175.3
[M+K]+ 282.12547 159.1
[M+H-H2O]+ 226.15957 149.9
[M+HCOO]- 288.16051 179.2
[M+CH3COO]- 302.17616 199.3
[M+Na-2H]- 264.13698 159.9
[M]+ 243.16176 154.4
[M]- 243.16286 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