CID 135465810

146672-58-4

Structural Information

Molecular Formula
C6H16N4O2
SMILES
CCCN(CCCN)/[N+](=N\O)/[O-]
InChI
InChI=1S/C6H16N4O2/c1-2-5-9(6-3-4-7)10(12)8-11/h11H,2-7H2,1H3/b10-8+
InChIKey
QODRTFHTYGHQMT-CSKARUKUSA-N
Compound name
(E)-[3-aminopropyl(propyl)amino]-hydroxyimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

444
Patents

176.12732 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13460 136.6
[M+Na]+ 199.11654 140.6
[M-H]- 175.12004 137.5
[M+NH4]+ 194.16114 155.4
[M+K]+ 215.09048 137.4
[M+H-H2O]+ 159.12458 134.7
[M+HCOO]- 221.12552 164.5
[M+CH3COO]- 235.14117 184.9
[M+Na-2H]- 197.10199 143.4
[M]+ 176.12677 134.4
[M]- 176.12787 134.4
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

patents stripe