CID 92672

1,3-diisopropylnaphthalene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
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