CID 6446393

1-penten-3-one, 4,4-dimethyl-1-(4-(2-propenyloxy)phenyl)-

Structural Information

Molecular Formula
C16H20O2
SMILES
CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)OCC=C
InChI
InChI=1S/C16H20O2/c1-5-12-18-14-9-6-13(7-10-14)8-11-15(17)16(2,3)4/h5-11H,1,12H2,2-4H3/b11-8+
InChIKey
NSMLWCGAXJMLLI-DHZHZOJOSA-N
Compound name
(E)-4,4-dimethyl-1-(4-prop-2-enoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.153606 157.8
[M+Na]+ 267.135548 164.5
[M-H]- 243.139054 161.1
[M+NH4]+ 262.180153 175.6
[M+K]+ 283.109488 161.1
[M+H-H2O]+ 227.143590 152.0
[M+HCOO]- 289.144531 178.7
[M+CH3COO]- 303.160181 194.8
[M+Na-2H]- 265.120996 161.3
[M]+ 244.14578142 160.3
[M]- 244.14687858 160.3
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.