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

6
Patents

125.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 116.6
[M+Na]+ 148.073278 122.7
[M-H]- 124.076784 121.2
[M+NH4]+ 143.117883 126.6
[M+K]+ 164.047218 127.3
[M+H-H2O]+ 108.081320 103.9
[M+HCOO]- 170.082261 134.9
[M+CH3COO]- 184.097911 184.8
[M+Na-2H]- 146.058726 123.7
[M]+ 125.08351142 131.7
[M]- 125.08460858 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