CID 80656

2-naphthyl laurate

Structural Information

Molecular Formula
C22H30O2
SMILES
CCCCCCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3
InChIKey
CIGGUBXZFFSTTA-UHFFFAOYSA-N
Compound name
naphthalen-2-yl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

326.22458 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.231856 184.4
[M+Na]+ 349.213798 188.4
[M-H]- 325.217304 187.1
[M+NH4]+ 344.258403 199.4
[M+K]+ 365.187738 183.5
[M+H-H2O]+ 309.221840 176.1
[M+HCOO]- 371.222781 204.0
[M+CH3COO]- 385.238431 212.2
[M+Na-2H]- 347.199246 186.7
[M]+ 326.22403142 189.3
[M]- 326.22512858 189.3
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