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
1
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]+ 185.11722 140.4
[M+Na]+ 207.09916 149.3
[M-H]- 183.10266 144.7
[M+NH4]+ 202.14376 155.8
[M+K]+ 223.07310 148.7
[M+H-H2O]+ 167.10720 136.1
[M+HCOO]- 229.10814 159.5
[M+CH3COO]- 243.12379 184.2
[M+Na-2H]- 205.08461 144.9
[M]+ 184.10939 145.7
[M]- 184.11049 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