CID 90021491

104465-32-9

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC[C@H](C)[C@@H](C(=O)OC)NC(=O)CN
InChI
InChI=1S/C9H18N2O3/c1-4-6(2)8(9(13)14-3)11-7(12)5-10/h6,8H,4-5,10H2,1-3H3,(H,11,12)/t6-,8-/m0/s1
InChIKey
BEDYCFPUUFSNCO-XPUUQOCRSA-N
Compound name
methyl (2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

202.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.139016 149.3
[M+Na]+ 225.120958 153.2
[M-H]- 201.124464 148.7
[M+NH4]+ 220.165563 167.3
[M+K]+ 241.094898 154.0
[M+H-H2O]+ 185.129000 143.2
[M+HCOO]- 247.129941 170.6
[M+CH3COO]- 261.145591 191.8
[M+Na-2H]- 223.106406 148.9
[M]+ 202.13119142 149.1
[M]- 202.13228858 149.1
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