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]+ 184.16959 144.0
[M+Na]+ 206.15153 151.4
[M-H]- 182.15503 144.6
[M+NH4]+ 201.19613 162.4
[M+K]+ 222.12547 151.0
[M+H-H2O]+ 166.15957 132.9
[M+HCOO]- 228.16051 161.0
[M+CH3COO]- 242.17616 198.4
[M+Na-2H]- 204.13698 148.0
[M]+ 183.16176 142.3
[M]- 183.16286 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