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]+ 156.174676 139.7
[M+Na]+ 178.156618 142.2
[M-H]- 154.160124 141.5
[M+NH4]+ 173.201223 159.8
[M+K]+ 194.130558 141.3
[M+H-H2O]+ 138.164660 133.9
[M+HCOO]- 200.165601 157.9
[M+CH3COO]- 214.181251 181.4
[M+Na-2H]- 176.142066 141.0
[M]+ 155.16685142 132.6
[M]- 155.16794858 132.6
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

No patent data available for this compound.