CID 15414

1-butylnaphthalene

Structural Information

Molecular Formula
C14H16
SMILES
CCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8-11H,2-3,7H2,1H3
InChIKey
URGSMJLDEFDWNX-UHFFFAOYSA-N
Compound name
1-butylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5949
Patents

184.1252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.132476 140.3
[M+Na]+ 207.114418 148.1
[M-H]- 183.117924 144.7
[M+NH4]+ 202.159023 161.5
[M+K]+ 223.088358 144.1
[M+H-H2O]+ 167.122460 134.2
[M+HCOO]- 229.123401 163.2
[M+CH3COO]- 243.139051 185.1
[M+Na-2H]- 205.099866 148.5
[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