CID 63333377

1536988-52-9

Structural Information

Molecular Formula
C7H13NO
SMILES
C1COCC12CC2CN
InChI
InChI=1S/C7H13NO/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2
InChIKey
BSESSGRISLUQGE-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.4]heptan-2-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 124.2
[M+Na]+ 150.08894 133.0
[M-H]- 126.09244 131.0
[M+NH4]+ 145.13354 143.6
[M+K]+ 166.06288 132.6
[M+H-H2O]+ 110.09698 119.5
[M+HCOO]- 172.09792 146.5
[M+CH3COO]- 186.11357 174.3
[M+Na-2H]- 148.07439 131.8
[M]+ 127.09917 124.0
[M]- 127.10027 124.0
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.