CID 138991378

(2z)-2-(2-methylpropylidene)cyclobutan-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CC(C)/C=C\1/CCC1=O
InChI
InChI=1S/C8H12O/c1-6(2)5-7-3-4-8(7)9/h5-6H,3-4H2,1-2H3/b7-5-
InChIKey
VRDVLPNPYNXMDH-ALCCZGGFSA-N
Compound name
(2Z)-2-(2-methylpropylidene)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.4
[M+Na]+ 147.07803 130.5
[M-H]- 123.08153 128.1
[M+NH4]+ 142.12263 140.4
[M+K]+ 163.05197 132.5
[M+H-H2O]+ 107.08607 115.0
[M+HCOO]- 169.08701 145.5
[M+CH3COO]- 183.10266 176.3
[M+Na-2H]- 145.06348 128.5
[M]+ 124.08826 131.9
[M]- 124.08936 131.9
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.