CID 110918

6709-22-4

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1=CCC(C1(C)C)C(=O)O
InChI
InChI=1S/C9H14O2/c1-6-4-5-7(8(10)11)9(6,2)3/h4,7H,5H2,1-3H3,(H,10,11)
InChIKey
ZRVJUIDXQSYDBJ-UHFFFAOYSA-N
Compound name
2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.09938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 131.3
[M+Na]+ 177.088598 140.0
[M-H]- 153.092104 134.3
[M+NH4]+ 172.133203 156.0
[M+K]+ 193.062538 138.6
[M+H-H2O]+ 137.096640 128.0
[M+HCOO]- 199.097581 153.3
[M+CH3COO]- 213.113231 175.0
[M+Na-2H]- 175.074046 134.7
[M]+ 154.09883142 131.2
[M]- 154.09992858 131.2
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