CID 3045786

Brn 2839172

Structural Information

Molecular Formula
C13H22AsN
SMILES
CCN(CC)[As](CC)C1=CC=CC=C1C
InChI
InChI=1S/C13H22AsN/c1-5-14(15(6-2)7-3)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKey
LHXIUEUWHQRSNA-UHFFFAOYSA-N
Compound name
N-ethyl-N-[ethyl-(2-methylphenyl)arsanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09683 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10411 162.6
[M+Na]+ 290.08605 167.4
[M-H]- 266.08955 166.6
[M+NH4]+ 285.13065 181.6
[M+K]+ 306.05999 165.8
[M+H-H2O]+ 250.09409 155.2
[M+HCOO]- 312.09503 185.3
[M+CH3COO]- 326.11068 199.0
[M+Na-2H]- 288.07150 164.4
[M]+ 267.09628 164.6
[M]- 267.09738 164.6
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.