CID 122164535

1989672-87-8

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1C2CC13COC(CN3C2)CN
InChI
InChI=1S/C9H16N2O/c10-3-8-5-11-4-7-1-9(11,2-7)6-12-8/h7-8H,1-6,10H2
InChIKey
QDXAVRONVWFXQW-UHFFFAOYSA-N
Compound name
3-oxa-6-azatricyclo[6.1.1.01,6]decan-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 135.4
[M+Na]+ 191.11549 140.1
[M-H]- 167.11899 137.5
[M+NH4]+ 186.16009 155.5
[M+K]+ 207.08943 142.1
[M+H-H2O]+ 151.12353 126.8
[M+HCOO]- 213.12447 150.3
[M+CH3COO]- 227.14012 147.3
[M+Na-2H]- 189.10094 142.2
[M]+ 168.12572 144.1
[M]- 168.12682 144.1
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.