CID 6183609

Nsc698083

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)CC\1=C(C(=O)/C1=C\C(=O)C)CC(C)C
InChI
InChI=1S/C15H22O2/c1-9(2)6-12-13(7-10(3)4)15(17)14(12)8-11(5)16/h8-10H,6-7H2,1-5H3/b14-8-
InChIKey
RPRYXGWQVFNNHA-ZSOIEALJSA-N
Compound name
(4Z)-2,3-bis(2-methylpropyl)-4-(2-oxopropylidene)cyclobut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 158.5
[M+Na]+ 257.15121 164.0
[M-H]- 233.15471 162.1
[M+NH4]+ 252.19581 170.5
[M+K]+ 273.12515 164.9
[M+H-H2O]+ 217.15925 148.1
[M+HCOO]- 279.16019 177.0
[M+CH3COO]- 293.17584 201.5
[M+Na-2H]- 255.13666 155.6
[M]+ 234.16144 169.9
[M]- 234.16254 169.9
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.