CID 20230567

2305252-34-8

Structural Information

Molecular Formula
C9H21NO
SMILES
CC(C)(C)OCCCCNC
InChI
InChI=1S/C9H21NO/c1-9(2,3)11-8-6-5-7-10-4/h10H,5-8H2,1-4H3
InChIKey
XQBMIJADIRSPOX-UHFFFAOYSA-N
Compound name
N-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

159.16231 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 140.1
[M+Na]+ 182.151528 145.7
[M-H]- 158.155034 140.1
[M+NH4]+ 177.196133 161.2
[M+K]+ 198.125468 145.6
[M+H-H2O]+ 142.159570 135.3
[M+HCOO]- 204.160511 162.6
[M+CH3COO]- 218.176161 182.8
[M+Na-2H]- 180.136976 146.4
[M]+ 159.16176142 142.6
[M]- 159.16285858 142.6
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

patents stripe