CID 55288370

1523542-00-8

Structural Information

Molecular Formula
C5H9NO
SMILES
C1[C@@H]2[C@@H](C2O)CN1
InChI
InChI=1S/C5H9NO/c7-5-3-1-6-2-4(3)5/h3-7H,1-2H2/t3-,4+,5?
InChIKey
RZLJAMZKKBGBBS-NGQZWQHPSA-N
Compound name
(1R,5S)-3-azabicyclo[3.1.0]hexan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 119.2
[M+Na]+ 122.05763 130.4
[M+NH4]+ 117.10223 128.6
[M+K]+ 138.03157 128.6
[M-H]- 98.061134 126.0
[M+Na-2H]- 120.04308 125.0
[M]+ 99.067861 123.5
[M]- 99.068959 123.5
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