CID 137952075

(4z)-4-(2-methylpropylidene)oxolan-3-one

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(C)/C=C\1/COCC1=O
InChI
InChI=1S/C8H12O2/c1-6(2)3-7-4-10-5-8(7)9/h3,6H,4-5H2,1-2H3/b7-3-
InChIKey
GDLRRGUAFXEVPG-CLTKARDFSA-N
Compound name
(4Z)-4-(2-methylpropylidene)oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.3
[M+Na]+ 163.07294 136.3
[M-H]- 139.07644 133.3
[M+NH4]+ 158.11754 151.4
[M+K]+ 179.04688 136.5
[M+H-H2O]+ 123.08098 124.8
[M+HCOO]- 185.08192 150.9
[M+CH3COO]- 199.09757 172.6
[M+Na-2H]- 161.05839 132.9
[M]+ 140.08317 128.3
[M]- 140.08427 128.3
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.