CID 137944770

3-cyclohexylbicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H19N
SMILES
C1CCC(CC1)C23CC(C2)(C3)N
InChI
InChI=1S/C11H19N/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9/h9H,1-8,12H2
InChIKey
UIWJFQOJVLNNSB-UHFFFAOYSA-N
Compound name
3-cyclohexylbicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.15903 151.4
[M+Na]+ 188.14097 153.6
[M-H]- 164.14447 155.9
[M+NH4]+ 183.18557 157.5
[M+K]+ 204.11491 158.4
[M+H-H2O]+ 148.14901 137.2
[M+HCOO]- 210.14995 162.5
[M+CH3COO]- 224.16560 208.9
[M+Na-2H]- 186.12642 156.8
[M]+ 165.15120 170.7
[M]- 165.15230 170.7
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.