CID 54595898

3-azabicyclo[3.1.0]hexan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C2C1(CNC2)O
InChI
InChI=1S/C5H9NO/c7-5-1-4(5)2-6-3-5/h4,6-7H,1-3H2
InChIKey
KREAKZAXWQHUJK-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.0]hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

99.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 121.8
[M+Na]+ 122.05763 132.9
[M+NH4]+ 117.10223 132.6
[M+K]+ 138.03157 129.1
[M-H]- 98.061134 128.8
[M+Na-2H]- 120.04308 129.2
[M]+ 99.067861 126.4
[M]- 99.068959 126.4
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