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

55
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 117.1
[M+Na]+ 150.08894 120.9
[M-H]- 126.09244 122.7
[M+NH4]+ 145.13354 126.2
[M+K]+ 166.06288 126.9
[M+H-H2O]+ 110.09698 104.0
[M+HCOO]- 172.09792 135.7
[M+CH3COO]- 186.11357 185.7
[M+Na-2H]- 148.07439 124.9
[M]+ 127.09917 130.9
[M]- 127.10027 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