CID 93517168

(1s,2s)-2-ethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
CC[C@H]1C[C@@H]1C(=O)O
InChI
InChI=1S/C6H10O2/c1-2-4-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m0/s1
InChIKey
NEZWQTAIJWQNHI-WHFBIAKZSA-N
Compound name
cis-(1S,2S)-2-ethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

114.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 121.4
[M+Na]+ 137.057298 131.1
[M-H]- 113.060804 125.3
[M+NH4]+ 132.101903 138.8
[M+K]+ 153.031238 129.2
[M+H-H2O]+ 97.065340 116.4
[M+HCOO]- 159.066281 143.7
[M+CH3COO]- 173.081931 171.8
[M+Na-2H]- 135.042746 126.8
[M]+ 114.06753142 124.0
[M]- 114.06862858 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