CID 7014901

Boc-val-gly-oh

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

128
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 164.2
[M+Na]+ 297.14208 167.2
[M+NH4]+ 292.18668 166.6
[M+K]+ 313.11602 167.8
[M-H]- 273.14558 159.3
[M+Na-2H]- 295.12753 162.0
[M]+ 274.15231 162.3
[M]- 274.15341 162.3
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

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