CID 436058

Nsc382000

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

36587
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

literature stripe

Patent stripe

patents stripe