CID 135402056

Deta nonoate

Structural Information

Molecular Formula

C₄H₁₃N₅O₂

SMILES

C(CN(CCN)/[N+](=N/O)/[O-])N

InChI

InChI=1S/C4H13N5O2/c5-1-3-8(4-2-6)9(11)7-10/h10H,1-6H2/b9-7-

InChIKey

YNRCBOXEDICOIX-CLFYSBASSA-N

Compound name

(Z)-[bis(2-aminoethyl)amino]-hydroxyimino-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 249
References: 426
Patents: 163.10692 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.11420	128.2
[M+Na]+	186.09614	132.1
[M-H]-	162.09964	128.9
[M+NH4]+	181.14074	146.7
[M+K]+	202.07008	129.2
[M+H-H2O]+	146.10418	126.1
[M+HCOO]-	208.10512	157.1
[M+CH3COO]-	222.12077	183.2
[M+Na-2H]-	184.08159	135.6
[M]+	163.10637	123.4
[M]-	163.10747	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe