CID 101188

1-(dimethylamino)cyclohexanecarbonitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
CN(C)C1(CCCCC1)C#N
InChI
InChI=1S/C9H16N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKey
SDHHZJUUIBWPPN-UHFFFAOYSA-N
Compound name
1-(dimethylamino)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

152.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 134.0
[M+Na]+ 175.120568 141.3
[M-H]- 151.124074 138.1
[M+NH4]+ 170.165173 155.0
[M+K]+ 191.094508 139.5
[M+H-H2O]+ 135.128610 122.4
[M+HCOO]- 197.129551 152.4
[M+CH3COO]- 211.145201 193.9
[M+Na-2H]- 173.106016 139.7
[M]+ 152.13080142 125.9
[M]- 152.13189858 125.9
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