CID 54593638

1-cyclohexyl-3,3-dimethylbutan-2-amine

Structural Information

Molecular Formula
C12H25N
SMILES
CC(C)(C)C(CC1CCCCC1)N
InChI
InChI=1S/C12H25N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKey
FEWAYFMACVGCPY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3,3-dimethylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.20598 147.8
[M+Na]+ 206.18792 150.2
[M-H]- 182.19142 149.5
[M+NH4]+ 201.23252 167.0
[M+K]+ 222.16186 148.8
[M+H-H2O]+ 166.19596 142.2
[M+HCOO]- 228.19690 164.8
[M+CH3COO]- 242.21255 186.2
[M+Na-2H]- 204.17337 150.0
[M]+ 183.19815 141.5
[M]- 183.19925 141.5
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