CID 39587

Nitrosotriethylurea

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CCN(CC)C(=O)N(CC)N=O
InChI
InChI=1S/C7H15N3O2/c1-4-9(5-2)7(11)10(6-3)8-12/h4-6H2,1-3H3
InChIKey
LWOSYGXHFHQJAG-UHFFFAOYSA-N
Compound name
1,1,3-triethyl-3-nitrosourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

173.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 139.1
[M+Na]+ 196.10564 144.5
[M-H]- 172.10914 143.6
[M+NH4]+ 191.15024 160.4
[M+K]+ 212.07958 147.8
[M+H-H2O]+ 156.11368 132.3
[M+HCOO]- 218.11462 167.9
[M+CH3COO]- 232.13027 196.3
[M+Na-2H]- 194.09109 144.0
[M]+ 173.11587 143.4
[M]- 173.11697 143.4
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

No patent data available for this compound.