CID 165951278

6-cyclopropyl-2-oxaspiro[3.3]heptane-6-carbonitrile

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC1C2(CC3(C2)COC3)C#N
InChI
InChI=1S/C10H13NO/c11-5-10(8-1-2-8)3-9(4-10)6-12-7-9/h8H,1-4,6-7H2
InChIKey
HQBRXQZTMOGBEC-UHFFFAOYSA-N
Compound name
6-cyclopropyl-2-oxaspiro[3.3]heptane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 115.6
[M+Na]+ 186.088938 127.4
[M-H]- 162.092444 126.2
[M+NH4]+ 181.133543 123.1
[M+K]+ 202.062878 130.7
[M+H-H2O]+ 146.096980 102.1
[M+HCOO]- 208.097921 132.2
[M+CH3COO]- 222.113571 202.9
[M+Na-2H]- 184.074386 126.0
[M]+ 163.09917142 128.8
[M]- 163.10026858 128.8
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.