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]+ 136.07570 122.2
[M+Na]+ 158.05764 131.9
[M-H]- 134.06114 127.0
[M+NH4]+ 153.10224 140.6
[M+K]+ 174.03158 131.5
[M+H-H2O]+ 118.06568 108.4
[M+HCOO]- 180.06662 140.5
[M+CH3COO]- 194.08227 188.2
[M+Na-2H]- 156.04309 128.7
[M]+ 135.06787 124.2
[M]- 135.06897 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.