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

52
Patents

99.06841 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 141.4
[M+Na]+ 122.05763 145.6
[M-H]- 98.061134 143.8
[M+NH4]+ 117.10223 149.1
[M+K]+ 138.03157 151.2
[M+H-H2O]+ 82.065670 128.9
[M+HCOO]- 144.06661 154.7
[M+CH3COO]- 158.08226 197.7
[M+Na-2H]- 120.04308 148.8
[M]+ 99.067861 163.7
[M]- 99.068959 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