CID 72207746

1438241-18-9

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C(CC12COC2)CN
InChI
InChI=1S/C7H13NO/c8-3-6-1-7(2-6)4-9-5-7/h6H,1-5,8H2
InChIKey
WSYVSHRXSUYFFB-UHFFFAOYSA-N
Compound name
2-oxaspiro[3.3]heptan-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 117.1
[M+Na]+ 150.088938 120.9
[M-H]- 126.092444 122.7
[M+NH4]+ 145.133543 126.2
[M+K]+ 166.062878 126.9
[M+H-H2O]+ 110.096980 104.0
[M+HCOO]- 172.097921 135.7
[M+CH3COO]- 186.113571 185.7
[M+Na-2H]- 148.074386 124.9
[M]+ 127.09917142 130.9
[M]- 127.10026858 130.9
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

patents stripe