CID 44144727

Sec-octadecylnaphthalene

Structural Information

Molecular Formula
C28H44
SMILES
CCCCCCCCCCCCCCCCC(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C28H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(2)27-24-19-22-26-21-17-18-23-28(26)27/h17-19,21-25H,3-16,20H2,1-2H3
InChIKey
YCNNUYYPMCIWNW-UHFFFAOYSA-N
Compound name
1-octadecan-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.3443 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.35158 206.2
[M+Na]+ 403.33352 207.3
[M-H]- 379.33702 207.5
[M+NH4]+ 398.37812 219.0
[M+K]+ 419.30746 200.3
[M+H-H2O]+ 363.34156 196.9
[M+HCOO]- 425.34250 222.9
[M+CH3COO]- 439.35815 227.5
[M+Na-2H]- 401.31897 205.0
[M]+ 380.34375 211.0
[M]- 380.34485 211.0
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