CID 131402435

{5-oxaspiro[2.4]heptan-6-yl}methanamine

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]+ 128.10700 128.0
[M+Na]+ 150.08894 138.9
[M+NH4]+ 145.13354 139.2
[M+K]+ 166.06288 135.1
[M-H]- 126.09244 138.8
[M+Na-2H]- 148.07439 136.4
[M]+ 127.09917 133.7
[M]- 127.10027 133.7
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.