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]+ 114.09134 123.3
[M+Na]+ 136.07328 131.0
[M-H]- 112.07678 123.6
[M+NH4]+ 131.11788 149.2
[M+K]+ 152.04722 129.8
[M+H-H2O]+ 96.081320 118.8
[M+HCOO]- 158.08226 143.1
[M+CH3COO]- 172.09791 165.7
[M+Na-2H]- 134.05873 128.0
[M]+ 113.08351 120.5
[M]- 113.08461 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