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]+ 164.10700 115.6
[M+Na]+ 186.08894 127.4
[M-H]- 162.09244 126.2
[M+NH4]+ 181.13354 123.1
[M+K]+ 202.06288 130.7
[M+H-H2O]+ 146.09698 102.1
[M+HCOO]- 208.09792 132.2
[M+CH3COO]- 222.11357 202.9
[M+Na-2H]- 184.07439 126.0
[M]+ 163.09917 128.8
[M]- 163.10027 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.