CID 436059

Nsc382001

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1=CC(=C(C=C1)C)C(=O)C(=C)CN(C)C
InChI
InChI=1S/C14H19NO/c1-10-6-7-11(2)13(8-10)14(16)12(3)9-15(4)5/h6-8H,3,9H2,1-2,4-5H3
InChIKey
BNDBZMVGPBMKJD-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.2
[M+Na]+ 240.13589 156.8
[M-H]- 216.13939 155.4
[M+NH4]+ 235.18049 169.5
[M+K]+ 256.10983 155.4
[M+H-H2O]+ 200.14393 143.9
[M+HCOO]- 262.14487 173.3
[M+CH3COO]- 276.16052 199.1
[M+Na-2H]- 238.12134 151.6
[M]+ 217.14612 152.1
[M]- 217.14722 152.1
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.