CID 138039663

{6-oxaspiro[3.4]octan-2-yl}methanamine

Structural Information

Molecular Formula
C8H15NO
SMILES
C1COCC12CC(C2)CN
InChI
InChI=1S/C8H15NO/c9-5-7-3-8(4-7)1-2-10-6-8/h7H,1-6,9H2
InChIKey
HTGCXYZBINTCIH-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.4]octan-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 125.4
[M+Na]+ 164.10459 129.9
[M-H]- 140.10809 130.9
[M+NH4]+ 159.14919 142.5
[M+K]+ 180.07853 132.6
[M+H-H2O]+ 124.11263 116.2
[M+HCOO]- 186.11357 146.0
[M+CH3COO]- 200.12922 176.8
[M+Na-2H]- 162.09004 131.6
[M]+ 141.11482 129.9
[M]- 141.11592 129.9
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.