CID 13401735

1-amino-3-methylbutan-2-one hydrochloride

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)C(=O)CN
InChI
InChI=1S/C5H11NO/c1-4(2)5(7)3-6/h4H,3,6H2,1-2H3
InChIKey
UNYDWXGETNKFSJ-UHFFFAOYSA-N
Compound name
1-amino-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

101.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 121.4
[M+Na]+ 124.07328 128.0
[M-H]- 100.07678 121.5
[M+NH4]+ 119.11788 144.0
[M+K]+ 140.04722 128.4
[M+H-H2O]+ 84.081320 116.9
[M+HCOO]- 146.08226 144.3
[M+CH3COO]- 160.09791 171.0
[M+Na-2H]- 122.05873 125.6
[M]+ 101.08351 119.8
[M]- 101.08461 119.8
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