CID 82651019

1559337-84-6

Structural Information

Molecular Formula
C7H13NO
SMILES
C1COCC2C1C2CN
InChI
InChI=1S/C7H13NO/c8-3-6-5-1-2-9-4-7(5)6/h5-7H,1-4,8H2
InChIKey
WDONDCVYDPRSRT-UHFFFAOYSA-N
Compound name
3-oxabicyclo[4.1.0]heptan-7-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.2
[M+Na]+ 150.08894 133.7
[M-H]- 126.09244 130.6
[M+NH4]+ 145.13354 141.9
[M+K]+ 166.06288 132.7
[M+H-H2O]+ 110.09698 119.4
[M+HCOO]- 172.09792 145.7
[M+CH3COO]- 186.11357 177.2
[M+Na-2H]- 148.07439 133.2
[M]+ 127.09917 124.9
[M]- 127.10027 124.9
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.