CID 11434963

(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: 87
Patents: 130.06299 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.070266	125.8
[M+Na]+	153.052208	134.6
[M-H]-	129.055714	129.2
[M+NH4]+	148.096813	142.2
[M+K]+	169.026148	133.1
[M+H-H2O]+	113.060250	120.3
[M+HCOO]-	175.061191	148.3
[M+CH3COO]-	189.076841	172.6
[M+Na-2H]-	151.037656	131.7
[M]+	130.06244142	129.4
[M]-	130.06353858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe