CID 109894

Propanenitrile, 3-(tridecyloxy)-

Structural Information

Molecular Formula
C16H31NO
SMILES
CCCCCCCCCCCCCOCCC#N
InChI
InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-13,15-16H2,1H3
InChIKey
QNXKSVYXNGTPLX-UHFFFAOYSA-N
Compound name
3-tridecoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.24057 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.24785 158.7
[M+Na]+ 276.22979 164.1
[M-H]- 252.23329 158.0
[M+NH4]+ 271.27439 174.5
[M+K]+ 292.20373 161.6
[M+H-H2O]+ 236.23783 146.1
[M+HCOO]- 298.23877 176.6
[M+CH3COO]- 312.25442 210.9
[M+Na-2H]- 274.21524 161.4
[M]+ 253.24002 159.9
[M]- 253.24112 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.