CID 124252528

1935424-98-8

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1(OC2)CN
InChI
InChI=1S/C6H11NO/c7-4-6-1-5(2-6)3-8-6/h5H,1-4,7H2
InChIKey
PNBUAUKWRXPJFK-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexan-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.4
[M+Na]+ 136.07328 130.5
[M-H]- 112.07678 126.0
[M+NH4]+ 131.11788 147.7
[M+K]+ 152.04722 133.1
[M+H-H2O]+ 96.081320 118.0
[M+HCOO]- 158.08226 143.3
[M+CH3COO]- 172.09791 138.0
[M+Na-2H]- 134.05873 134.1
[M]+ 113.08351 135.7
[M]- 113.08461 135.7
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