CID 177802006

2-methyl-6-oxospiro[3.3]heptane-2-carbonitrile

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1(CC2(C1)CC(=O)C2)C#N
InChI
InChI=1S/C9H11NO/c1-8(6-10)4-9(5-8)2-7(11)3-9/h2-5H2,1H3
InChIKey
YDQJDDKNELMOBS-UHFFFAOYSA-N
Compound name
2-methyl-6-oxospiro[3.3]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 120.2
[M+Na]+ 172.073278 128.2
[M-H]- 148.076784 126.5
[M+NH4]+ 167.117883 131.4
[M+K]+ 188.047218 132.1
[M+H-H2O]+ 132.081320 104.7
[M+HCOO]- 194.082261 136.5
[M+CH3COO]- 208.097911 199.4
[M+Na-2H]- 170.058726 127.4
[M]+ 149.08351142 130.2
[M]- 149.08460858 130.2
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.