CID 135402050

146724-84-7

Structural Information

Molecular Formula
C5H14N4O2
SMILES
CNCCCN(C)/[N+](=N/O)/[O-]
InChI
InChI=1S/C5H14N4O2/c1-6-4-3-5-8(2)9(11)7-10/h6,10H,3-5H2,1-2H3/b9-7-
InChIKey
BPBUJYBQUBMWDT-CLFYSBASSA-N
Compound name
(Z)-hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

126
Patents

162.11168 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11896 131.9
[M+Na]+ 185.10090 136.3
[M-H]- 161.10440 133.5
[M+NH4]+ 180.14550 151.5
[M+K]+ 201.07484 133.7
[M+H-H2O]+ 145.10894 130.2
[M+HCOO]- 207.10988 160.7
[M+CH3COO]- 221.12553 182.6
[M+Na-2H]- 183.08635 140.3
[M]+ 162.11113 130.3
[M]- 162.11223 130.3
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