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]+ 125.096086 124.4
[M+Na]+ 147.078028 130.5
[M-H]- 123.081534 128.1
[M+NH4]+ 142.122633 140.4
[M+K]+ 163.051968 132.5
[M+H-H2O]+ 107.086070 115.0
[M+HCOO]- 169.087011 145.5
[M+CH3COO]- 183.102661 176.3
[M+Na-2H]- 145.063476 128.5
[M]+ 124.08826142 131.9
[M]- 124.08935858 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.