CID 126664198

2377005-08-6

Structural Information

Molecular Formula
C7H9NO
SMILES
C1[C@H]2[C@@H]1[C@H]3C[C@@H]2C(=O)N3
InChI
InChI=1S/C7H9NO/c9-7-5-2-6(8-7)4-1-3(4)5/h3-6H,1-2H2,(H,8,9)/t3-,4+,5-,6+/m0/s1
InChIKey
QLLWFAQIJNZQQL-BGPJRJDNSA-N
Compound name
(1S,2S,4R,5R)-6-azatricyclo[3.2.1.02,4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 125.0
[M+Na]+ 146.05763 135.9
[M+NH4]+ 141.10223 135.3
[M+K]+ 162.03157 135.2
[M-H]- 122.06113 131.5
[M+Na-2H]- 144.04308 128.4
[M]+ 123.06786 129.2
[M]- 123.06896 129.2
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