CID 21573420

635318-61-5

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(C)(C)OC(=O)C1(CC=CC1)C(=O)O
InChI
InChI=1S/C11H16O4/c1-10(2,3)15-9(14)11(8(12)13)6-4-5-7-11/h4-5H,6-7H2,1-3H3,(H,12,13)
InChIKey
RZAVTKUGXSBXKP-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.4
[M+Na]+ 235.09408 153.8
[M-H]- 211.09758 149.7
[M+NH4]+ 230.13868 169.1
[M+K]+ 251.06802 153.4
[M+H-H2O]+ 195.10212 143.9
[M+HCOO]- 257.10306 166.8
[M+CH3COO]- 271.11871 181.7
[M+Na-2H]- 233.07953 150.9
[M]+ 212.10431 148.3
[M]- 212.10541 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe