CID 23046889

1-(7-methylnaphthalen-2-yl)propan-1-one

Structural Information

Molecular Formula
C14H14O
SMILES
CCC(=O)C1=CC2=C(C=CC(=C2)C)C=C1
InChI
InChI=1S/C14H14O/c1-3-14(15)12-7-6-11-5-4-10(2)8-13(11)9-12/h4-9H,3H2,1-2H3
InChIKey
WHNWJDNPVJRRSI-UHFFFAOYSA-N
Compound name
1-(7-methylnaphthalen-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 142.3
[M+Na]+ 221.09368 150.9
[M-H]- 197.09718 147.1
[M+NH4]+ 216.13828 163.0
[M+K]+ 237.06762 147.5
[M+H-H2O]+ 181.10172 136.3
[M+HCOO]- 243.10266 164.6
[M+CH3COO]- 257.11831 188.1
[M+Na-2H]- 219.07913 148.6
[M]+ 198.10391 143.6
[M]- 198.10501 143.6
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

patents stripe