CID 28998281

(1r,2r)-2-(tert-butoxy)cyclopentan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)O[C@@H]1CCC[C@H]1N
InChI
InChI=1S/C9H19NO/c1-9(2,3)11-8-6-4-5-7(8)10/h7-8H,4-6,10H2,1-3H3/t7-,8-/m1/s1
InChIKey
KBYASNMQYNVACB-HTQZYQBOSA-N
Compound name
trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.5
[M+Na]+ 180.135888 143.3
[M-H]- 156.139394 140.3
[M+NH4]+ 175.180493 160.0
[M+K]+ 196.109828 142.5
[M+H-H2O]+ 140.143930 132.7
[M+HCOO]- 202.144871 158.8
[M+CH3COO]- 216.160521 179.1
[M+Na-2H]- 178.121336 140.8
[M]+ 157.14612142 134.6
[M]- 157.14721858 134.6
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.