CID 25459

11069-34-4

Structural Information

Molecular Formula
C5H12N2O
SMILES
CCCC[N+](=NC)[O-]
InChI
InChI=1S/C5H12N2O/c1-3-4-5-7(8)6-2/h3-5H2,1-2H3
InChIKey
RRROREHZDRAVJK-UHFFFAOYSA-N
Compound name
butyl-methylimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.102236 123.9
[M+Na]+ 139.084178 130.6
[M-H]- 115.087684 125.8
[M+NH4]+ 134.128783 146.5
[M+K]+ 155.058118 127.4
[M+H-H2O]+ 99.092220 123.8
[M+HCOO]- 161.093161 151.7
[M+CH3COO]- 175.108811 170.4
[M+Na-2H]- 137.069626 132.8
[M]+ 116.09441142 123.5
[M]- 116.09550858 123.5
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.