CID 14559554

Tert-butyl (2s,3s)-3-methyl-2-(methylamino)pentanoate hydrochloride

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC
InChI
InChI=1S/C11H23NO2/c1-7-8(2)9(12-6)10(13)14-11(3,4)5/h8-9,12H,7H2,1-6H3/t8-,9-/m0/s1
InChIKey
OLATUDLOVJQLMJ-IUCAKERBSA-N
Compound name
tert-butyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 150.8
[M+Na]+ 224.162098 155.3
[M-H]- 200.165604 150.8
[M+NH4]+ 219.206703 170.0
[M+K]+ 240.136038 156.0
[M+H-H2O]+ 184.170140 145.9
[M+HCOO]- 246.171081 170.2
[M+CH3COO]- 260.186731 191.7
[M+Na-2H]- 222.147546 152.5
[M]+ 201.17233142 152.8
[M]- 201.17342858 152.8
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