CID 111654

Propanenitrile, 3-(isononyloxy)-

Structural Information

Molecular Formula
C12H23NO
SMILES
CC(C)CCCCCCOCCC#N
InChI
InChI=1S/C12H23NO/c1-12(2)8-5-3-4-6-10-14-11-7-9-13/h12H,3-8,10-11H2,1-2H3
InChIKey
WUYWEOKULPEHSU-UHFFFAOYSA-N
Compound name
3-(7-methyloctoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 147.1
[M+Na]+ 220.16718 156.2
[M+NH4]+ 215.21178 151.1
[M+K]+ 236.14112 146.7
[M-H]- 196.17068 139.7
[M+Na-2H]- 218.15263 147.7
[M]+ 197.17741 145.3
[M]- 197.17851 145.3
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.