CID 131402435

2060041-80-5

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC12CC(OC2)CN
InChI
InChI=1S/C7H13NO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5,8H2
InChIKey
KUHIIBZROYQZJN-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.4]heptan-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 124.2
[M+Na]+ 150.088938 133.0
[M-H]- 126.092444 131.0
[M+NH4]+ 145.133543 143.6
[M+K]+ 166.062878 132.6
[M+H-H2O]+ 110.096980 119.5
[M+HCOO]- 172.097921 146.5
[M+CH3COO]- 186.113571 174.3
[M+Na-2H]- 148.074386 131.8
[M]+ 127.09917142 124.0
[M]- 127.10026858 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.