CID 110086

Propanenitrile, 3-(isooctyloxy)-

Structural Information

Molecular Formula
C11H21NO
SMILES
CC(C)CCCCCOCCC#N
InChI
InChI=1S/C11H21NO/c1-11(2)7-4-3-5-9-13-10-6-8-12/h11H,3-7,9-10H2,1-2H3
InChIKey
AWHYNDJDMUDNAO-UHFFFAOYSA-N
Compound name
3-(6-methylheptoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 143.1
[M+Na]+ 206.15153 152.4
[M+NH4]+ 201.19613 147.2
[M+K]+ 222.12547 143.1
[M-H]- 182.15503 135.7
[M+Na-2H]- 204.13698 144.0
[M]+ 183.16176 141.3
[M]- 183.16286 141.3
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.