CID 171693

N-nitroso-n-propylpropionamide

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CCCN(C(=O)CC)N=O
InChI
InChI=1S/C6H12N2O2/c1-3-5-8(7-10)6(9)4-2/h3-5H2,1-2H3
InChIKey
KKIWLGAMEWOSQL-UHFFFAOYSA-N
Compound name
N-nitroso-N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 129.9
[M+Na]+ 167.079088 136.4
[M-H]- 143.082594 133.1
[M+NH4]+ 162.123693 152.1
[M+K]+ 183.053028 138.6
[M+H-H2O]+ 127.087130 124.1
[M+HCOO]- 189.088071 157.6
[M+CH3COO]- 203.103721 185.4
[M+Na-2H]- 165.064536 135.9
[M]+ 144.08932142 133.5
[M]- 144.09041858 133.5
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