CID 23465006

Pentamethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(C(C1(C)C(=O)O)(C)C)C
InChI
InChI=1S/C9H16O2/c1-7(2)8(3,4)9(7,5)6(10)11/h1-5H3,(H,10,11)
InChIKey
CULDOFBSBZAHMP-UHFFFAOYSA-N
Compound name
1,2,2,3,3-pentamethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

156.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 130.3
[M+Na]+ 179.104258 141.7
[M-H]- 155.107764 135.2
[M+NH4]+ 174.148863 152.1
[M+K]+ 195.078198 141.9
[M+H-H2O]+ 139.112300 129.6
[M+HCOO]- 201.113241 150.5
[M+CH3COO]- 215.128891 181.0
[M+Na-2H]- 177.089706 137.4
[M]+ 156.11449142 136.0
[M]- 156.11558858 136.0
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