CID 84038482

2387601-47-8

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]+ 114.09134 125.0
[M+Na]+ 136.07328 133.9
[M-H]- 112.07678 126.3
[M+NH4]+ 131.11788 141.4
[M+K]+ 152.04722 130.4
[M+H-H2O]+ 96.081320 119.4
[M+HCOO]- 158.08226 142.3
[M+CH3COO]- 172.09791 168.0
[M+Na-2H]- 134.05873 132.0
[M]+ 113.08351 122.2
[M]- 113.08461 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