CID 117971

1,5-diisopropylnaphthalene

Structural Information

Molecular Formula
C16H20
SMILES
CC(C)C1=CC=CC2=C1C=CC=C2C(C)C
InChI
InChI=1S/C16H20/c1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16/h5-12H,1-4H3
InChIKey
GFZWCYSEPXDDRI-UHFFFAOYSA-N
Compound name
1,5-di(propan-2-yl)naphthalene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

85
Patents

212.1565 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.16378 149.5
[M+Na]+ 235.14572 156.7
[M-H]- 211.14922 154.0
[M+NH4]+ 230.19032 169.8
[M+K]+ 251.11966 153.3
[M+H-H2O]+ 195.15376 143.4
[M+HCOO]- 257.15470 169.6
[M+CH3COO]- 271.17035 193.9
[M+Na-2H]- 233.13117 153.4
[M]+ 212.15595 150.2
[M]- 212.15705 150.2
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