CID 10856176

2-(naphthalen-2-yl)propanal

Structural Information

Molecular Formula
C13H12O
SMILES
CC(C=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H12O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h2-10H,1H3
InChIKey
MJNMZHAZYDYGMQ-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

184.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09610 138.1
[M+Na]+ 207.07804 146.3
[M-H]- 183.08154 142.8
[M+NH4]+ 202.12264 159.1
[M+K]+ 223.05198 143.0
[M+H-H2O]+ 167.08608 132.2
[M+HCOO]- 229.08702 160.8
[M+CH3COO]- 243.10267 184.0
[M+Na-2H]- 205.06349 145.7
[M]+ 184.08827 138.7
[M]- 184.08937 138.7
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