CID 548337

2-butylisouronium chloride

Structural Information

Molecular Formula
C5H12N2O
SMILES
CCCCOC(=N)N
InChI
InChI=1S/C5H12N2O/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKey
RVBFJJRQNLWPJO-UHFFFAOYSA-N
Compound name
butyl carbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

116.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 125.1
[M+Na]+ 139.08418 131.1
[M-H]- 115.08768 125.0
[M+NH4]+ 134.12878 146.8
[M+K]+ 155.05812 131.0
[M+H-H2O]+ 99.092220 119.9
[M+HCOO]- 161.09316 150.0
[M+CH3COO]- 175.10881 174.3
[M+Na-2H]- 137.06963 130.6
[M]+ 116.09441 123.2
[M]- 116.09551 123.2
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