CID 56962161

7-oxaspiro[3.5]nonane-2-carbonitrile

Structural Information

Molecular Formula
C9H13NO
SMILES
C1COCCC12CC(C2)C#N
InChI
InChI=1S/C9H13NO/c10-7-8-5-9(6-8)1-3-11-4-2-9/h8H,1-6H2
InChIKey
OEMVWPVTTNNRKI-UHFFFAOYSA-N
Compound name
7-oxaspiro[3.5]nonane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 120.7
[M+Na]+ 174.08894 128.1
[M-H]- 150.09244 126.2
[M+NH4]+ 169.13354 135.1
[M+K]+ 190.06288 129.8
[M+H-H2O]+ 134.09698 105.7
[M+HCOO]- 196.09792 136.2
[M+CH3COO]- 210.11357 189.8
[M+Na-2H]- 172.07439 129.0
[M]+ 151.09917 120.4
[M]- 151.10027 120.4
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.