CID 112150

7-methoxy-3,7-dimethyloctanenitrile

Structural Information

Molecular Formula
C11H21NO
SMILES
CC(CCCC(C)(C)OC)CC#N
InChI
InChI=1S/C11H21NO/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10H,5-8H2,1-4H3
InChIKey
IUVOEDXVVOJVDB-UHFFFAOYSA-N
Compound name
7-methoxy-3,7-dimethyloctanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

183.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 144.0
[M+Na]+ 206.151528 151.4
[M-H]- 182.155034 144.6
[M+NH4]+ 201.196133 162.4
[M+K]+ 222.125468 151.0
[M+H-H2O]+ 166.159570 132.9
[M+HCOO]- 228.160511 161.0
[M+CH3COO]- 242.176161 198.4
[M+Na-2H]- 204.136976 148.0
[M]+ 183.16176142 142.3
[M]- 183.16285858 142.3
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

patents stripe