CID 192414

(s)-2-(2-((tert-butoxycarbonyl)amino)propanamido)acetic acid

Structural Information

Molecular Formula
C10H18N2O5
SMILES
C[C@@H](C(=O)NCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18N2O5/c1-6(8(15)11-5-7(13)14)12-9(16)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChIKey
PBGVVLQMNSPMKN-LURJTMIESA-N
Compound name
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

246.12157 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.128846 155.7
[M+Na]+ 269.110788 159.5
[M-H]- 245.114294 154.4
[M+NH4]+ 264.155393 171.5
[M+K]+ 285.084728 160.6
[M+H-H2O]+ 229.118830 150.2
[M+HCOO]- 291.119771 175.1
[M+CH3COO]- 305.135421 195.4
[M+Na-2H]- 267.096236 156.8
[M]+ 246.12102142 156.6
[M]- 246.12211858 156.6
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