CID 84075990

2287280-60-6

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1(CO2)CN
InChI
InChI=1S/C6H11NO/c7-3-6-1-5(2-6)8-4-6/h5H,1-4,7H2
InChIKey
NVHRHGWRVNFFIB-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexan-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

113.08406 Da
Monoisotopic Mass

-0.4
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

literature stripe

Patent stripe

patents stripe