CID 10727030

Methyl (2r)-2-(benzylamino)butanoate hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC[C@H](C(=O)OC)NCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-3-11(12(14)15-2)13-9-10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3/t11-/m1/s1
InChIKey
VKXJALJQJXRIBP-LLVKDONJSA-N
Compound name
methyl (2R)-2-(benzylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

207.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.2
[M+Na]+ 230.11515 158.7
[M+NH4]+ 225.15975 155.8
[M+K]+ 246.08909 152.8
[M-H]- 206.11865 150.0
[M+Na-2H]- 228.10060 154.1
[M]+ 207.12538 150.0
[M]- 207.12648 150.0
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