CID 496845

Nsc699824

Structural Information

Molecular Formula
C10H15NO2
SMILES
C1CC2C(C(=O)N3C2(C1)CCC3)O
InChI
InChI=1S/C10H15NO2/c12-8-7-3-1-4-10(7)5-2-6-11(10)9(8)13/h7-8,12H,1-6H2
InChIKey
FBWXWTXDJFZJGE-UHFFFAOYSA-N
Compound name
7-hydroxy-5-azatricyclo[6.3.0.01,5]undecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 142.3
[M+Na]+ 204.09950 149.8
[M-H]- 180.10300 145.7
[M+NH4]+ 199.14410 169.0
[M+K]+ 220.07344 147.2
[M+H-H2O]+ 164.10754 138.0
[M+HCOO]- 226.10848 160.7
[M+CH3COO]- 240.12413 155.2
[M+Na-2H]- 202.08495 143.0
[M]+ 181.10973 138.6
[M]- 181.11083 138.6
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.