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]+ 140.10700 128.3
[M+Na]+ 162.08894 138.1
[M+NH4]+ 157.13354 139.7
[M+K]+ 178.06288 132.1
[M-H]- 138.09244 131.4
[M+Na-2H]- 160.07439 133.0
[M]+ 139.09917 130.5
[M]- 139.10027 130.5
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.