CID 4913006

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

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(=O)C(C)(C)N
InChI
InChI=1S/C5H11NO/c1-4(7)5(2,3)6/h6H2,1-3H3
InChIKey
KNDSDAUZINPACQ-UHFFFAOYSA-N
Compound name
3-amino-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

101.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.2
[M+Na]+ 124.07328 127.6
[M-H]- 100.07678 120.6
[M+NH4]+ 119.11788 143.1
[M+K]+ 140.04722 127.9
[M+H-H2O]+ 84.081320 116.5
[M+HCOO]- 146.08226 142.7
[M+CH3COO]- 160.09791 170.3
[M+Na-2H]- 122.05873 126.4
[M]+ 101.08351 118.9
[M]- 101.08461 118.9
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