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

3
Patents

156.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 131.9
[M+Na]+ 179.104258 142.6
[M-H]- 155.107764 136.3
[M+NH4]+ 174.148863 151.9
[M+K]+ 195.078198 141.8
[M+H-H2O]+ 139.112300 129.7
[M+HCOO]- 201.113241 152.5
[M+CH3COO]- 215.128891 181.0
[M+Na-2H]- 177.089706 137.6
[M]+ 156.11449142 137.0
[M]- 156.11558858 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