CID 137755

N-nonylcyclopentane

Structural Information

Molecular Formula
C14H28
SMILES
CCCCCCCCCC1CCCC1
InChI
InChI=1S/C14H28/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h14H,2-13H2,1H3
InChIKey
GDCYEUOAZVKNHT-UHFFFAOYSA-N
Compound name
nonylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

196.2191 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.226376 154.0
[M+Na]+ 219.208318 157.1
[M-H]- 195.211824 155.7
[M+NH4]+ 214.252923 175.0
[M+K]+ 235.182258 154.7
[M+H-H2O]+ 179.216360 147.8
[M+HCOO]- 241.217301 174.6
[M+CH3COO]- 255.232951 187.6
[M+Na-2H]- 217.193766 155.1
[M]+ 196.21855142 153.5
[M]- 196.21964858 153.5
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