CID 6537068

3-(naphthalen-1-yl)prop-2-enal

Structural Information

Molecular Formula
C13H10O
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/C=O
InChI
InChI=1S/C13H10O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-10H/b8-4+
InChIKey
UTHCEVDIYLRXTA-XBXARRHUSA-N
Compound name
(E)-3-naphthalen-1-ylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

182.07317 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08045 136.7
[M+Na]+ 205.06239 145.5
[M-H]- 181.06589 141.3
[M+NH4]+ 200.10699 157.8
[M+K]+ 221.03633 141.2
[M+H-H2O]+ 165.07043 130.7
[M+HCOO]- 227.07137 160.6
[M+CH3COO]- 241.08702 181.6
[M+Na-2H]- 203.04784 145.5
[M]+ 182.07262 137.1
[M]- 182.07372 137.1
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