CID 33800

1-propylnaphthalene

Structural Information

Molecular Formula
C13H14
SMILES
CCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3
InChIKey
HMAMGXMFMCAOPV-UHFFFAOYSA-N
Compound name
1-propylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6914
Patents

170.10954 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11682 135.5
[M+Na]+ 193.09876 143.7
[M-H]- 169.10226 140.1
[M+NH4]+ 188.14336 157.3
[M+K]+ 209.07270 140.1
[M+H-H2O]+ 153.10680 129.6
[M+HCOO]- 215.10774 158.8
[M+CH3COO]- 229.12339 182.1
[M+Na-2H]- 191.08421 144.3
[M]+ 170.10899 136.0
[M]- 170.11009 136.0
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