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 127.4
[M+Na]+ 162.08894 134.1
[M-H]- 138.09244 130.2
[M+NH4]+ 157.13354 152.5
[M+K]+ 178.06288 133.4
[M+H-H2O]+ 122.09698 123.0
[M+HCOO]- 184.09792 148.1
[M+CH3COO]- 198.11357 141.1
[M+Na-2H]- 160.07439 136.2
[M]+ 139.09917 124.7
[M]- 139.10027 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.