CID 63166621

1807938-67-5

Structural Information

Molecular Formula
C12H25N3O
SMILES
CC(C)C[C@@H](C(=O)N1CCC(C1)N(C)C)N
InChI
InChI=1S/C12H25N3O/c1-9(2)7-11(13)12(16)15-6-5-10(8-15)14(3)4/h9-11H,5-8,13H2,1-4H3/t10?,11-/m0/s1
InChIKey
VJWQHOQVGHCDCY-DTIOYNMSSA-N
Compound name
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.19977 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.20705 157.5
[M+Na]+ 250.18899 162.9
[M+NH4]+ 245.23359 163.7
[M+K]+ 266.16293 161.6
[M-H]- 226.19249 157.8
[M+Na-2H]- 248.17444 158.5
[M]+ 227.19922 157.7
[M]- 227.20032 157.7
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

No patent data available for this compound.