CID 135402057

Noc-5

Structural Information

Molecular Formula
C6H16N4O2
SMILES
CC(C)N(CCCN)/[N+](=N/O)/[O-]
InChI
InChI=1S/C6H16N4O2/c1-6(2)9(5-3-4-7)10(12)8-11/h6,11H,3-5,7H2,1-2H3/b10-8-
InChIKey
MTIRIKBRVALRPJ-NTMALXAHSA-N
Compound name
(Z)-[3-aminopropyl(propan-2-yl)amino]-hydroxyimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

323
Patents

176.12732 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13460 137.3
[M+Na]+ 199.11654 141.0
[M-H]- 175.12004 138.2
[M+NH4]+ 194.16114 156.0
[M+K]+ 215.09048 138.4
[M+H-H2O]+ 159.12458 135.5
[M+HCOO]- 221.12552 164.2
[M+CH3COO]- 235.14117 185.6
[M+Na-2H]- 197.10199 142.8
[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

literature stripe

Patent stripe

patents stripe