CID 12953792

2-ethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
CCC1CC1C(=O)O
InChI
InChI=1S/C6H10O2/c1-2-4-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
NEZWQTAIJWQNHI-UHFFFAOYSA-N
Compound name
2-ethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
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 121.4
[M+Na]+ 137.05730 131.1
[M-H]- 113.06080 125.3
[M+NH4]+ 132.10190 138.8
[M+K]+ 153.03124 129.2
[M+H-H2O]+ 97.065340 116.4
[M+HCOO]- 159.06628 143.7
[M+CH3COO]- 173.08193 171.8
[M+Na-2H]- 135.04275 126.8
[M]+ 114.06753 124.0
[M]- 114.06863 124.0
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