CID 4523

N-[methyl-[3-(methylamino)propyl]amino]-n-oxidonitrous amide

Structural Information

Molecular Formula
C5H13N4O2
SMILES
CNCCCN(C)N(N=O)[O-]
InChI
InChI=1S/C5H13N4O2/c1-6-4-3-5-8(2)9(11)7-10/h6H,3-5H2,1-2H3/q-1
InChIKey
VHEBQZRQFBZPAF-UHFFFAOYSA-N
Compound name
N-[methyl-[3-(methylamino)propyl]amino]-N-oxidonitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

161.10385 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11113 133.5
[M+Na]+ 184.09307 138.2
[M-H]- 160.09657 136.2
[M+NH4]+ 179.13767 154.0
[M+K]+ 200.06701 142.1
[M+H-H2O]+ 144.10111 128.6
[M+HCOO]- 206.10205 164.0
[M+CH3COO]- 220.11770 193.2
[M+Na-2H]- 182.07852 139.9
[M]+ 161.10330 135.3
[M]- 161.10440 135.3
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.