CID 137935712

2253640-48-9

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C=CC2CC1(CO2)CN
InChI
InChI=1S/C8H13NO/c9-5-8-3-1-2-7(4-8)10-6-8/h1-2,7H,3-6,9H2
InChIKey
NKKLYEZNXQZNSR-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.1]oct-3-en-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 127.4
[M+Na]+ 162.088938 134.1
[M-H]- 138.092444 130.2
[M+NH4]+ 157.133543 152.5
[M+K]+ 178.062878 133.4
[M+H-H2O]+ 122.096980 123.0
[M+HCOO]- 184.097921 148.1
[M+CH3COO]- 198.113571 141.1
[M+Na-2H]- 160.074386 136.2
[M]+ 139.09917142 124.7
[M]- 139.10026858 124.7
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

No patent data available for this compound.