CID 3023653

2,3-diisopropylnaphthalene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
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

No literature data available for this compound.

Patent stripe

patents stripe