CID 75488013

Ns00039819

Structural Information

Molecular Formula
C7H15N3O3
SMILES
COC(=O)[C@@H](CCCNC(=O)N)N
InChI
InChI=1S/C7H15N3O3/c1-13-6(11)5(8)3-2-4-10-7(9)12/h5H,2-4,8H2,1H3,(H3,9,10,12)/t5-/m1/s1
InChIKey
JVJIDUNQGFPNLO-RXMQYKEDSA-N
Compound name
methyl (2R)-2-amino-5-(carbamoylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11134 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.118616 143.2
[M+Na]+ 212.100558 147.2
[M-H]- 188.104064 142.2
[M+NH4]+ 207.145163 161.0
[M+K]+ 228.074498 147.7
[M+H-H2O]+ 172.108600 136.7
[M+HCOO]- 234.109541 166.5
[M+CH3COO]- 248.125191 189.6
[M+Na-2H]- 210.086006 144.3
[M]+ 189.11079142 141.0
[M]- 189.11188858 141.0
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.