CID 99093

38793-03-2

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

3
Patents

183.1987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.205976 148.0
[M+Na]+ 206.187918 150.9
[M-H]- 182.191424 149.8
[M+NH4]+ 201.232523 167.4
[M+K]+ 222.161858 149.0
[M+H-H2O]+ 166.195960 142.0
[M+HCOO]- 228.196901 166.5
[M+CH3COO]- 242.212551 187.7
[M+Na-2H]- 204.173366 148.8
[M]+ 183.19815142 142.6
[M]- 183.19924858 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