CID 3024658

Hydrazinecarboxylic acid, 1-(3-amino-3-oxopropyl)-2,2-dimethyl-, methyl ester

Structural Information

Molecular Formula
C7H15N3O3
SMILES
CN(C)N(CCC(=O)N)C(=O)OC
InChI
InChI=1S/C7H15N3O3/c1-9(2)10(7(12)13-3)5-4-6(8)11/h4-5H2,1-3H3,(H2,8,11)
InChIKey
DNDLZUHCJCDIQB-UHFFFAOYSA-N
Compound name
methyl N-(3-amino-3-oxopropyl)-N-(dimethylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.11134 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.118616 142.9
[M+Na]+ 212.100558 147.6
[M-H]- 188.104064 145.4
[M+NH4]+ 207.145163 162.4
[M+K]+ 228.074498 150.7
[M+H-H2O]+ 172.108600 136.2
[M+HCOO]- 234.109541 168.9
[M+CH3COO]- 248.125191 196.0
[M+Na-2H]- 210.086006 144.9
[M]+ 189.11079142 145.0
[M]- 189.11188858 145.0
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

patents stripe