CID 137965651

2-oxatricyclo[5.4.0.0,1,5]undecan-8-amine

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]+ 168.138286 132.4
[M+Na]+ 190.120228 136.7
[M-H]- 166.123734 137.9
[M+NH4]+ 185.164833 149.9
[M+K]+ 206.094168 138.5
[M+H-H2O]+ 150.128270 123.1
[M+HCOO]- 212.129211 149.5
[M+CH3COO]- 226.144861 183.2
[M+Na-2H]- 188.105676 138.1
[M]+ 167.13046142 136.0
[M]- 167.13155858 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.