CID 3040983

53230-00-5

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CCCN(C(CC)OC)N=O
InChI
InChI=1S/C7H16N2O2/c1-4-6-9(8-10)7(5-2)11-3/h7H,4-6H2,1-3H3
InChIKey
DQAQXLGFDQPREN-UHFFFAOYSA-N
Compound name
N-(1-methoxypropyl)-N-propylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 136.0
[M+Na]+ 183.11041 141.7
[M-H]- 159.11391 139.0
[M+NH4]+ 178.15501 157.6
[M+K]+ 199.08435 144.2
[M+H-H2O]+ 143.11845 129.8
[M+HCOO]- 205.11939 163.2
[M+CH3COO]- 219.13504 190.0
[M+Na-2H]- 181.09586 141.4
[M]+ 160.12064 140.8
[M]- 160.12174 140.8
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.