CID 129924947

2-(2,2,3,3-tetramethylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(C(C1(C)C)CC(=O)O)C
InChI
InChI=1S/C9H16O2/c1-8(2)6(5-7(10)11)9(8,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKey
GPQOSLNEDHEXAR-UHFFFAOYSA-N
Compound name
2-(2,2,3,3-tetramethylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 131.9
[M+Na]+ 179.10426 142.6
[M-H]- 155.10776 136.3
[M+NH4]+ 174.14886 151.9
[M+K]+ 195.07820 141.8
[M+H-H2O]+ 139.11230 129.7
[M+HCOO]- 201.11324 152.5
[M+CH3COO]- 215.12889 181.0
[M+Na-2H]- 177.08971 137.6
[M]+ 156.11449 137.0
[M]- 156.11559 137.0
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