CID 84038482

2-azabicyclo[4.1.0]heptan-5-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNC2CC2C1O
InChI
InChI=1S/C6H11NO/c8-6-1-2-7-5-3-4(5)6/h4-8H,1-3H2
InChIKey
HTJDMXAWQYBQJY-UHFFFAOYSA-N
Compound name
2-azabicyclo[4.1.0]heptan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 125.0
[M+Na]+ 136.073278 133.9
[M-H]- 112.076784 126.3
[M+NH4]+ 131.117883 141.4
[M+K]+ 152.047218 130.4
[M+H-H2O]+ 96.081320 119.4
[M+HCOO]- 158.082261 142.3
[M+CH3COO]- 172.097911 168.0
[M+Na-2H]- 134.058726 132.0
[M]+ 113.08351142 122.2
[M]- 113.08460858 122.2
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