CID 65439714

3-cyclohexylbutan-2-amine

Structural Information

Molecular Formula
C10H21N
SMILES
CC(C1CCCCC1)C(C)N
InChI
InChI=1S/C10H21N/c1-8(9(2)11)10-6-4-3-5-7-10/h8-10H,3-7,11H2,1-2H3
InChIKey
YXLQIAOHRCHNEY-UHFFFAOYSA-N
Compound name
3-cyclohexylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 138.8
[M+Na]+ 178.15662 147.5
[M+NH4]+ 173.20122 147.8
[M+K]+ 194.13056 142.0
[M-H]- 154.16012 141.3
[M+Na-2H]- 176.14207 143.0
[M]+ 155.16685 140.5
[M]- 155.16795 140.5
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

No patent data available for this compound.