CID 146049889

Rac-(1r,5s)-4-oxobicyclo[3.2.0]heptane-1-carbonitrile

Structural Information

Molecular Formula
C8H9NO
SMILES
C1C[C@@]2([C@H]1C(=O)CC2)C#N
InChI
InChI=1S/C8H9NO/c9-5-8-3-1-6(8)7(10)2-4-8/h6H,1-4H2/t6-,8+/m1/s1
InChIKey
JZOMLTHJAVJEHS-SVRRBLITSA-N
Compound name
(1R,5S)-4-oxobicyclo[3.2.0]heptane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.06842 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 122.2
[M+Na]+ 158.057638 131.9
[M-H]- 134.061144 127.0
[M+NH4]+ 153.102243 140.6
[M+K]+ 174.031578 131.5
[M+H-H2O]+ 118.065680 108.4
[M+HCOO]- 180.066621 140.5
[M+CH3COO]- 194.082271 188.2
[M+Na-2H]- 156.043086 128.7
[M]+ 135.06787142 124.2
[M]- 135.06896858 124.2
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.