CID 129370300

Rac-1-[(1r,2s,4r)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine

Structural Information

Molecular Formula
C7H11NO
SMILES
C1[C@@H]2C=C[C@H]([C@@H]1CN)O2
InChI
InChI=1S/C7H11NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4,8H2/t5-,6-,7+/m0/s1
InChIKey
OUUFJVPPPLAXOC-LYFYHCNISA-N
Compound name
[(1R,2S,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 123.9
[M+Na]+ 148.07328 131.8
[M-H]- 124.07678 127.3
[M+NH4]+ 143.11788 149.6
[M+K]+ 164.04722 131.4
[M+H-H2O]+ 108.08132 120.0
[M+HCOO]- 170.08226 147.1
[M+CH3COO]- 184.09791 172.3
[M+Na-2H]- 146.05873 130.2
[M]+ 125.08351 123.2
[M]- 125.08461 123.2
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.