CID 21516125

1-butylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCCC1(CC1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-4-8(5-6-8)7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey
TYBSOAUWRAKTNE-UHFFFAOYSA-N
Compound name
1-butylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.3
[M+Na]+ 165.08860 140.0
[M-H]- 141.09210 134.8
[M+NH4]+ 160.13320 149.3
[M+K]+ 181.06254 138.7
[M+H-H2O]+ 125.09664 127.1
[M+HCOO]- 187.09758 152.7
[M+CH3COO]- 201.11323 176.1
[M+Na-2H]- 163.07405 137.4
[M]+ 142.09883 134.7
[M]- 142.09993 134.7
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