CID 25459

Butyl-methylimino-oxidoazanium

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]+ 117.10224 123.9
[M+Na]+ 139.08418 130.6
[M-H]- 115.08768 125.8
[M+NH4]+ 134.12878 146.5
[M+K]+ 155.05812 127.4
[M+H-H2O]+ 99.092220 123.8
[M+HCOO]- 161.09316 151.7
[M+CH3COO]- 175.10881 170.4
[M+Na-2H]- 137.06963 132.8
[M]+ 116.09441 123.5
[M]- 116.09551 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.