CID 62466

2-chloro-n-(hydroxymethyl)acetamide

Structural Information

Molecular Formula
C3H6ClNO2
SMILES
C(C(=O)NCO)Cl
InChI
InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
InChIKey
TXNSZCSYBXHETP-UHFFFAOYSA-N
Compound name
2-chloro-N-(hydroxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

2417
Patents

123.008705 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.01598 120.4
[M+Na]+ 145.99792 128.4
[M-H]- 122.00143 119.7
[M+NH4]+ 141.04253 142.6
[M+K]+ 161.97186 126.5
[M+H-H2O]+ 106.00596 117.2
[M+HCOO]- 168.00691 139.9
[M+CH3COO]- 182.02256 167.3
[M+Na-2H]- 143.98337 127.0
[M]+ 123.00816 121.0
[M]- 123.00925 121.0
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

patents stripe