CID 120077

Isopropyl methylnaphthalene

Structural Information

Molecular Formula
C14H16
SMILES
CC1=CC=C(C2=CC=CC=C12)C(C)C
InChI
InChI=1S/C14H16/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13/h4-10H,1-3H3
InChIKey
KFRZGSPPBOQTEB-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

184.1252 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13248 140.0
[M+Na]+ 207.11442 148.4
[M-H]- 183.11792 144.8
[M+NH4]+ 202.15902 161.5
[M+K]+ 223.08836 145.0
[M+H-H2O]+ 167.12246 134.2
[M+HCOO]- 229.12340 161.9
[M+CH3COO]- 243.13905 187.0
[M+Na-2H]- 205.09987 146.3
[M]+ 184.12465 140.6
[M]- 184.12575 140.6
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