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

17
Patents

121.02944 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.036716 122.3
[M+Na]+ 144.018658 130.1
[M-H]- 120.022164 122.4
[M+NH4]+ 139.063263 145.0
[M+K]+ 159.992598 128.5
[M+H-H2O]+ 104.026700 119.0
[M+HCOO]- 166.027641 141.1
[M+CH3COO]- 180.043291 171.8
[M+Na-2H]- 142.004106 126.6
[M]+ 121.02889142 122.2
[M]- 121.02998858 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