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
(1S,5R)-3-azabicyclo[3.1.0]hexan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 119.8
[M+Na]+ 122.05763 130.0
[M-H]- 98.061134 121.4
[M+NH4]+ 117.10223 138.5
[M+K]+ 138.03157 126.4
[M+H-H2O]+ 82.065670 114.7
[M+HCOO]- 144.06661 139.3
[M+CH3COO]- 158.08226 164.9
[M+Na-2H]- 120.04308 126.0
[M]+ 99.067861 118.7
[M]- 99.068959 118.7
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