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
2
Annotation Hits

0
References

27
Patents

173.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.123696 140.6
[M+Na]+ 196.105638 145.5
[M-H]- 172.109144 143.9
[M+NH4]+ 191.150243 161.3
[M+K]+ 212.079578 148.5
[M+H-H2O]+ 156.113680 134.2
[M+HCOO]- 218.114621 167.0
[M+CH3COO]- 232.130271 193.2
[M+Na-2H]- 194.091086 143.6
[M]+ 173.11587142 142.1
[M]- 173.11696858 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