CID 95566587

1955547-05-3

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNC[C@@H]2[C@]1(C2)O
InChI
InChI=1S/C6H11NO/c8-6-1-2-7-4-5(6)3-6/h5,7-8H,1-4H2/t5-,6+/m1/s1
InChIKey
YXNPVBNVXFDPHF-RITPCOANSA-N
Compound name
(1R,6R)-3-azabicyclo[4.1.0]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 126.9
[M+Na]+ 136.07328 135.6
[M-H]- 112.07678 128.2
[M+NH4]+ 131.11788 144.9
[M+K]+ 152.04722 133.1
[M+H-H2O]+ 96.081320 122.0
[M+HCOO]- 158.08226 143.9
[M+CH3COO]- 172.09791 166.5
[M+Na-2H]- 134.05873 135.4
[M]+ 113.08351 124.1
[M]- 113.08461 124.1
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

No patent data available for this compound.