CID 2758013

3-cyclopropylpropanoic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
C1CC1CCC(=O)O
InChI
InChI=1S/C6H10O2/c7-6(8)4-3-5-1-2-5/h5H,1-4H2,(H,7,8)
InChIKey
PPZZCMKWRAVJDS-UHFFFAOYSA-N
Compound name
3-cyclopropylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

114.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 123.4
[M+Na]+ 137.05730 134.8
[M+NH4]+ 132.10190 132.0
[M+K]+ 153.03124 131.6
[M-H]- 113.06080 130.4
[M+Na-2H]- 135.04275 130.4
[M]+ 114.06753 127.9
[M]- 114.06863 127.9
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

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