CID 3024690

96804-67-0

Structural Information

Molecular Formula
C8H17N3O3
SMILES
CC(CN(C(=O)N)N(C)C)C(=O)OC
InChI
InChI=1S/C8H17N3O3/c1-6(7(12)14-4)5-11(8(9)13)10(2)3/h6H,5H2,1-4H3,(H2,9,13)
InChIKey
UXEWTRAREXBASD-UHFFFAOYSA-N
Compound name
methyl 3-[carbamoyl(dimethylamino)amino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.127 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.134276 147.9
[M+Na]+ 226.116218 152.0
[M-H]- 202.119724 150.4
[M+NH4]+ 221.160823 166.8
[M+K]+ 242.090158 155.5
[M+H-H2O]+ 186.124260 141.2
[M+HCOO]- 248.125201 172.6
[M+CH3COO]- 262.140851 200.0
[M+Na-2H]- 224.101666 148.2
[M]+ 203.12645142 149.8
[M]- 203.12754858 149.8
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.