CID 6366574

3-(1-(acetyloxy)-4-methyl-2-naphthalenyl)-2-propenal

Structural Information

Molecular Formula
C16H14O3
SMILES
CC1=CC(=C(C2=CC=CC=C12)OC(=O)C)/C=C/C=O
InChI
InChI=1S/C16H14O3/c1-11-10-13(6-5-9-17)16(19-12(2)18)15-8-4-3-7-14(11)15/h3-10H,1-2H3/b6-5+
InChIKey
GAUFJIQFNDPJHQ-AATRIKPKSA-N
Compound name
[4-methyl-2-[(E)-3-oxoprop-1-enyl]naphthalen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 155.4
[M+Na]+ 277.08352 164.6
[M-H]- 253.08702 160.3
[M+NH4]+ 272.12812 174.0
[M+K]+ 293.05746 160.7
[M+H-H2O]+ 237.09156 148.9
[M+HCOO]- 299.09250 177.8
[M+CH3COO]- 313.10815 196.5
[M+Na-2H]- 275.06897 159.9
[M]+ 254.09375 159.2
[M]- 254.09485 159.2
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.