CID 123753056

3-aminobicyclo[1.1.1]pentan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C2(CC1(C2)O)N
InChI
InChI=1S/C5H9NO/c6-4-1-5(7,2-4)3-4/h7H,1-3,6H2
InChIKey
HYBFGSGQMWKDPM-UHFFFAOYSA-N
Compound name
3-aminobicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

99.06841 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 141.4
[M+Na]+ 122.057628 145.6
[M-H]- 98.061134 143.8
[M+NH4]+ 117.102233 149.1
[M+K]+ 138.031568 151.2
[M+H-H2O]+ 82.065670 128.9
[M+HCOO]- 144.066611 154.7
[M+CH3COO]- 158.082261 197.7
[M+Na-2H]- 120.043076 148.8
[M]+ 99.06786142 163.7
[M]- 99.06895858 163.7
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

patents stripe