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]+ 126.091336 123.9
[M+Na]+ 148.073278 131.8
[M-H]- 124.076784 127.3
[M+NH4]+ 143.117883 149.6
[M+K]+ 164.047218 131.4
[M+H-H2O]+ 108.081320 120.0
[M+HCOO]- 170.082261 147.1
[M+CH3COO]- 184.097911 172.3
[M+Na-2H]- 146.058726 130.2
[M]+ 125.08351142 123.2
[M]- 125.08460858 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.