CID 188339

3-amino-1-chlorobutan-2-one hydrochloride

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CC(C(=O)CCl)N
InChI
InChI=1S/C4H8ClNO/c1-3(6)4(7)2-5/h3H,2,6H2,1H3
InChIKey
DZLZNJMNHPDMNK-UHFFFAOYSA-N
Compound name
3-amino-1-chlorobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

121.02944 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 122.3
[M+Na]+ 144.01866 130.1
[M-H]- 120.02216 122.4
[M+NH4]+ 139.06326 145.0
[M+K]+ 159.99260 128.5
[M+H-H2O]+ 104.02670 119.0
[M+HCOO]- 166.02764 141.1
[M+CH3COO]- 180.04329 171.8
[M+Na-2H]- 142.00411 126.6
[M]+ 121.02889 122.2
[M]- 121.02999 122.2
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