CID 28294539

1-[(dimethylamino)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula
C9H20N2
SMILES
CN(C)CC1(CCCCC1)N
InChI
InChI=1S/C9H20N2/c1-11(2)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3
InChIKey
HTNKDMPOGICBHG-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.16264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 137.0
[M+Na]+ 179.15186 140.7
[M-H]- 155.15536 140.6
[M+NH4]+ 174.19646 159.5
[M+K]+ 195.12580 140.7
[M+H-H2O]+ 139.15990 131.4
[M+HCOO]- 201.16084 159.1
[M+CH3COO]- 215.17649 184.5
[M+Na-2H]- 177.13731 142.0
[M]+ 156.16209 131.6
[M]- 156.16319 131.6
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