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

15
Patents

202.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 149.3
[M+Na]+ 225.12096 153.2
[M-H]- 201.12446 148.7
[M+NH4]+ 220.16556 167.3
[M+K]+ 241.09490 154.0
[M+H-H2O]+ 185.12900 143.2
[M+HCOO]- 247.12994 170.6
[M+CH3COO]- 261.14559 191.8
[M+Na-2H]- 223.10641 148.9
[M]+ 202.13119 149.1
[M]- 202.13229 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