CID 211339

1-(ethylamino)cyclohexanecarbonitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
CCNC1(CCCCC1)C#N
InChI
InChI=1S/C9H16N2/c1-2-11-9(8-10)6-4-3-5-7-9/h11H,2-7H2,1H3
InChIKey
FVHNIWSSACDLBF-UHFFFAOYSA-N
Compound name
1-(ethylamino)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

152.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 134.0
[M+Na]+ 175.120568 141.2
[M-H]- 151.124074 136.9
[M+NH4]+ 170.165173 154.4
[M+K]+ 191.094508 138.2
[M+H-H2O]+ 135.128610 122.6
[M+HCOO]- 197.129551 152.0
[M+CH3COO]- 211.145201 190.7
[M+Na-2H]- 173.106016 140.4
[M]+ 152.13080142 124.8
[M]- 152.13189858 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe