CID 524436

Tridecan-6-ylcyclohexane

Structural Information

Molecular Formula
C19H38
SMILES
CCCCCCCC(CCCCC)C1CCCCC1
InChI
InChI=1S/C19H38/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h18-19H,3-17H2,1-2H3
InChIKey
PPIIZJRNGJPCKQ-UHFFFAOYSA-N
Compound name
tridecan-6-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.29736 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.304636 175.8
[M+Na]+ 289.286578 175.5
[M-H]- 265.290084 176.4
[M+NH4]+ 284.331183 192.0
[M+K]+ 305.260518 172.3
[M+H-H2O]+ 249.294620 168.5
[M+HCOO]- 311.295561 191.6
[M+CH3COO]- 325.311211 203.6
[M+Na-2H]- 287.272026 174.2
[M]+ 266.29681142 174.3
[M]- 266.29790858 174.3
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