CID 28252

17085-91-5

Structural Information

Molecular Formula
C14H16
SMILES
CC(C)(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKey
SPLGZANLVHBDCC-UHFFFAOYSA-N
Compound name
1-tert-butylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1643
Patents

184.1252 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.132476 140.8
[M+Na]+ 207.114418 149.1
[M-H]- 183.117924 145.6
[M+NH4]+ 202.159023 162.3
[M+K]+ 223.088358 145.7
[M+H-H2O]+ 167.122460 135.4
[M+HCOO]- 229.123401 162.2
[M+CH3COO]- 243.139051 184.8
[M+Na-2H]- 205.099866 149.6
[M]+ 184.12465142 141.2
[M]- 184.12574858 141.2
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