CID 13701754

1-amino-4-methylpentan-2-one hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)CC(=O)CN
InChI
InChI=1S/C6H13NO/c1-5(2)3-6(8)4-7/h5H,3-4,7H2,1-2H3
InChIKey
LLXOMWAOBYXBDE-UHFFFAOYSA-N
Compound name
1-amino-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.3
[M+Na]+ 138.08894 134.2
[M+NH4]+ 133.13354 133.0
[M+K]+ 154.06288 129.9
[M-H]- 114.09244 124.9
[M+Na-2H]- 136.07439 128.4
[M]+ 115.09917 126.1
[M]- 115.10027 126.1
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