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

1
Patents

189.11134 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.11862 142.9
[M+Na]+ 212.10056 147.6
[M-H]- 188.10406 145.4
[M+NH4]+ 207.14516 162.4
[M+K]+ 228.07450 150.7
[M+H-H2O]+ 172.10860 136.2
[M+HCOO]- 234.10954 168.9
[M+CH3COO]- 248.12519 196.0
[M+Na-2H]- 210.08601 144.9
[M]+ 189.11079 145.0
[M]- 189.11189 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