CID 7014901

45233-75-8

Structural Information

Molecular Formula
C12H22N2O5
SMILES
CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O5/c1-7(2)9(10(17)13-6-8(15)16)14-11(18)19-12(3,4)5/h7,9H,6H2,1-5H3,(H,13,17)(H,14,18)(H,15,16)/t9-/m0/s1
InChIKey
BWPKSNMGVTYXQQ-VIFPVBQESA-N
Compound name
2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

274.15286 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16014 164.6
[M+Na]+ 297.14208 167.3
[M-H]- 273.14558 163.0
[M+NH4]+ 292.18668 179.2
[M+K]+ 313.11602 168.6
[M+H-H2O]+ 257.15012 158.9
[M+HCOO]- 319.15106 182.3
[M+CH3COO]- 333.16671 202.4
[M+Na-2H]- 295.12753 163.5
[M]+ 274.15231 165.6
[M]- 274.15341 165.6
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