CID 11434963

2-(cyclopropylmethoxy)acetic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
C1CC1COCC(=O)O
InChI
InChI=1S/C6H10O3/c7-6(8)4-9-3-5-1-2-5/h5H,1-4H2,(H,7,8)
InChIKey
IUWMURBOFGBWBO-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

130.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 126.9
[M+Na]+ 153.05221 137.8
[M+NH4]+ 148.09681 134.8
[M+K]+ 169.02615 135.0
[M-H]- 129.05571 133.3
[M+Na-2H]- 151.03766 133.4
[M]+ 130.06244 131.0
[M]- 130.06354 131.0
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

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