CID 41172

2-methyl-1-propylnaphthalene

Structural Information

Molecular Formula
C14H16
SMILES
CCCC1=C(C=CC2=CC=CC=C21)C
InChI
InChI=1S/C14H16/c1-3-6-13-11(2)9-10-12-7-4-5-8-14(12)13/h4-5,7-10H,3,6H2,1-2H3
InChIKey
BTYYGWOCMUPYPQ-UHFFFAOYSA-N
Compound name
2-methyl-1-propylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

184.1252 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.132476 139.9
[M+Na]+ 207.114418 148.6
[M-H]- 183.117924 144.6
[M+NH4]+ 202.159023 161.4
[M+K]+ 223.088358 144.7
[M+H-H2O]+ 167.122460 134.0
[M+HCOO]- 229.123401 162.8
[M+CH3COO]- 243.139051 186.2
[M+Na-2H]- 205.099866 147.4
[M]+ 184.12465142 141.1
[M]- 184.12574858 141.1
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