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]+ 114.091336 126.9
[M+Na]+ 136.073278 135.6
[M-H]- 112.076784 128.2
[M+NH4]+ 131.117883 144.9
[M+K]+ 152.047218 133.1
[M+H-H2O]+ 96.081320 122.0
[M+HCOO]- 158.082261 143.9
[M+CH3COO]- 172.097911 166.5
[M+Na-2H]- 134.058726 135.4
[M]+ 113.08351142 124.1
[M]- 113.08460858 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.