CID 99093

4-(2-methylpentyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C12H25N
SMILES
CCCC(C)CC1CCC(CC1)N
InChI
InChI=1S/C12H25N/c1-3-4-10(2)9-11-5-7-12(13)8-6-11/h10-12H,3-9,13H2,1-2H3
InChIKey
HTQOFUAMZXTULA-UHFFFAOYSA-N
Compound name
4-(2-methylpentyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.1987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.20598 148.0
[M+Na]+ 206.18792 150.9
[M-H]- 182.19142 149.8
[M+NH4]+ 201.23252 167.4
[M+K]+ 222.16186 149.0
[M+H-H2O]+ 166.19596 142.0
[M+HCOO]- 228.19690 166.5
[M+CH3COO]- 242.21255 187.7
[M+Na-2H]- 204.17337 148.8
[M]+ 183.19815 142.6
[M]- 183.19925 142.6
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