CID 138991028

2309431-67-0

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CCC[C@H](C(=O)OC)NC(=O)CN
InChI
InChI=1S/C8H16N2O3/c1-3-4-6(8(12)13-2)10-7(11)5-9/h6H,3-5,9H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKey
KVHDGALTBVJOCK-ZCFIWIBFSA-N
Compound name
methyl (2R)-2-[(2-aminoacetyl)amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.11609 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 144.2
[M+Na]+ 211.105308 148.8
[M-H]- 187.108814 143.7
[M+NH4]+ 206.149913 162.8
[M+K]+ 227.079248 149.3
[M+H-H2O]+ 171.113350 138.2
[M+HCOO]- 233.114291 166.9
[M+CH3COO]- 247.129941 187.9
[M+Na-2H]- 209.090756 145.7
[M]+ 188.11554142 144.3
[M]- 188.11663858 144.3
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

No patent data available for this compound.