CID 11309597

3-cyclohexyl-3-oxopropanenitrile

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCC(CC1)C(=O)CC#N
InChI
InChI=1S/C9H13NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8H,1-6H2
InChIKey
SFILZUIMJFKTHM-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 136.9
[M+Na]+ 174.08894 146.7
[M+NH4]+ 169.13354 142.0
[M+K]+ 190.06288 137.6
[M-H]- 150.09244 131.2
[M+Na-2H]- 172.07439 139.2
[M]+ 151.09917 135.6
[M]- 151.10027 135.6
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