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]+ 160.16959 140.1
[M+Na]+ 182.15153 145.7
[M-H]- 158.15503 140.1
[M+NH4]+ 177.19613 161.2
[M+K]+ 198.12547 145.6
[M+H-H2O]+ 142.15957 135.3
[M+HCOO]- 204.16051 162.6
[M+CH3COO]- 218.17616 182.8
[M+Na-2H]- 180.13698 146.4
[M]+ 159.16176 142.6
[M]- 159.16286 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