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

45
Patents

152.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 134.0
[M+Na]+ 175.12057 141.3
[M-H]- 151.12407 138.1
[M+NH4]+ 170.16517 155.0
[M+K]+ 191.09451 139.5
[M+H-H2O]+ 135.12861 122.4
[M+HCOO]- 197.12955 152.4
[M+CH3COO]- 211.14520 193.9
[M+Na-2H]- 173.10602 139.7
[M]+ 152.13080 125.9
[M]- 152.13190 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