CID 137965651

2230800-08-3

Structural Information

Molecular Formula
C10H17NO
SMILES
C1CC(C2CC3C2(C1)OCC3)N
InChI
InChI=1S/C10H17NO/c11-9-2-1-4-10-7(3-5-12-10)6-8(9)10/h7-9H,1-6,11H2
InChIKey
ADHIRBIGUQMHRR-UHFFFAOYSA-N
Compound name
2-oxatricyclo[5.4.0.01,5]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 132.4
[M+Na]+ 190.12023 136.7
[M-H]- 166.12373 137.9
[M+NH4]+ 185.16483 149.9
[M+K]+ 206.09417 138.5
[M+H-H2O]+ 150.12827 123.1
[M+HCOO]- 212.12921 149.5
[M+CH3COO]- 226.14486 183.2
[M+Na-2H]- 188.10568 138.1
[M]+ 167.13046 136.0
[M]- 167.13156 136.0
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.