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 140.9
[M+Na]+ 206.15153 148.0
[M-H]- 182.15503 141.2
[M+NH4]+ 201.19613 159.2
[M+K]+ 222.12547 147.1
[M+H-H2O]+ 166.15957 129.2
[M+HCOO]- 228.16051 159.3
[M+CH3COO]- 242.17616 198.1
[M+Na-2H]- 204.13698 144.7
[M]+ 183.16176 139.8
[M]- 183.16286 139.8
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.