CID 14269106

2544-05-0

Structural Information

Molecular Formula
C4H7ClO3
SMILES
COCC(C(=O)O)Cl
InChI
InChI=1S/C4H7ClO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey
SSWGTERYCJZJPQ-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

138.00838 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.015656 122.4
[M+Na]+ 160.997598 130.7
[M-H]- 137.001104 121.8
[M+NH4]+ 156.042203 144.3
[M+K]+ 176.971538 129.6
[M+H-H2O]+ 121.005640 119.5
[M+HCOO]- 183.006581 139.9
[M+CH3COO]- 197.022231 169.1
[M+Na-2H]- 158.983046 127.3
[M]+ 138.00783142 125.2
[M]- 138.00892858 125.2
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

patents stripe