CID 458588

2-diethylaminoethyl carbamate

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CCN(CC)CCOC(=O)N
InChI
InChI=1S/C7H16N2O2/c1-3-9(4-2)5-6-11-7(8)10/h3-6H2,1-2H3,(H2,8,10)
InChIKey
RSUCVCBRBPTWMO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

160.12119 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 137.2
[M+Na]+ 183.11041 142.5
[M-H]- 159.11391 138.2
[M+NH4]+ 178.15501 157.8
[M+K]+ 199.08435 143.8
[M+H-H2O]+ 143.11845 131.2
[M+HCOO]- 205.11939 162.2
[M+CH3COO]- 219.13504 186.0
[M+Na-2H]- 181.09586 140.9
[M]+ 160.12064 138.8
[M]- 160.12174 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe