CID 103399

65416-36-6

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(=CCCC1(C(O1)C(=O)O)C)C
InChI
InChI=1S/C10H16O3/c1-7(2)5-4-6-10(3)8(13-10)9(11)12/h5,8H,4,6H2,1-3H3,(H,11,12)
InChIKey
BLQCRPVVVAHWGF-UHFFFAOYSA-N
Compound name
3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

184.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 140.4
[M+Na]+ 207.099158 149.3
[M-H]- 183.102664 144.7
[M+NH4]+ 202.143763 155.8
[M+K]+ 223.073098 148.7
[M+H-H2O]+ 167.107200 136.1
[M+HCOO]- 229.108141 159.5
[M+CH3COO]- 243.123791 184.2
[M+Na-2H]- 205.084606 144.9
[M]+ 184.10939142 145.7
[M]- 184.11048858 145.7
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

patents stripe