CID 117999640

2742656-98-8

Structural Information

Molecular Formula
C7H11NO
SMILES
CN1CC2(C1)CC(=O)C2
InChI
InChI=1S/C7H11NO/c1-8-4-7(5-8)2-6(9)3-7/h2-5H2,1H3
InChIKey
WGOLIEPZFFKYGJ-UHFFFAOYSA-N
Compound name
2-methyl-2-azaspiro[3.3]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

125.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 116.6
[M+Na]+ 148.07328 122.7
[M-H]- 124.07678 121.2
[M+NH4]+ 143.11788 126.6
[M+K]+ 164.04722 127.3
[M+H-H2O]+ 108.08132 103.9
[M+HCOO]- 170.08226 134.9
[M+CH3COO]- 184.09791 184.8
[M+Na-2H]- 146.05873 123.7
[M]+ 125.08351 131.7
[M]- 125.08461 131.7
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

patents stripe