CID 11137127

(1s,3s,4r)-1-azabicyclo[2.2.1]heptan-3-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CN2C[C@@H]1[C@@H](C2)O
InChI
InChI=1S/C6H11NO/c8-6-4-7-2-1-5(6)3-7/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKey
RYUPTWCEWSUXQZ-PHDIDXHHSA-N
Compound name
(3S,4R)-1-azabicyclo[2.2.1]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 123.3
[M+Na]+ 136.073278 131.0
[M-H]- 112.076784 123.6
[M+NH4]+ 131.117883 149.2
[M+K]+ 152.047218 129.8
[M+H-H2O]+ 96.081320 118.8
[M+HCOO]- 158.082261 143.1
[M+CH3COO]- 172.097911 165.7
[M+Na-2H]- 134.058726 128.0
[M]+ 113.08351142 120.5
[M]- 113.08460858 120.5
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