CID 20383760

Unii-193o9vsn0k

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CCOC(=O)N(C)C(=N)N(C)C
InChI
InChI=1S/C7H15N3O2/c1-5-12-7(11)10(4)6(8)9(2)3/h8H,5H2,1-4H3
InChIKey
DGQBFOGDBFMMTN-UHFFFAOYSA-N
Compound name
ethyl N-(N,N-dimethylcarbamimidoyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

173.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 140.6
[M+Na]+ 196.10564 145.5
[M-H]- 172.10914 143.9
[M+NH4]+ 191.15024 161.3
[M+K]+ 212.07958 148.5
[M+H-H2O]+ 156.11368 134.2
[M+HCOO]- 218.11462 167.0
[M+CH3COO]- 232.13027 193.2
[M+Na-2H]- 194.09109 143.6
[M]+ 173.11587 142.1
[M]- 173.11697 142.1
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