CID 85578

3-(cyclohexyloxy)propanenitrile

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCC(CC1)OCCC#N
InChI
InChI=1S/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-6,8H2
InChIKey
KIYRTZOGFLTVIC-UHFFFAOYSA-N
Compound name
3-cyclohexyloxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

153.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 131.4
[M+Na]+ 176.104588 138.4
[M-H]- 152.108094 134.0
[M+NH4]+ 171.149193 150.2
[M+K]+ 192.078528 136.1
[M+H-H2O]+ 136.112630 119.5
[M+HCOO]- 198.113571 148.8
[M+CH3COO]- 212.129221 188.6
[M+Na-2H]- 174.090036 136.8
[M]+ 153.11482142 124.0
[M]- 153.11591858 124.0
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