CID 118849794

F0001-5399

Structural Information

Molecular Formula
C9H21N2O2
SMILES
CC(C)OC(=O)CCN[N+](C)(C)C
InChI
InChI=1S/C9H21N2O2/c1-8(2)13-9(12)6-7-10-11(3,4)5/h8,10H,6-7H2,1-5H3/q+1
InChIKey
KFZLQGIKBXNDFN-UHFFFAOYSA-N
Compound name
trimethyl-[(3-oxo-3-propan-2-yloxypropyl)amino]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.16031 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.16759 141.6
[M+Na]+ 212.14953 146.6
[M-H]- 188.15303 143.4
[M+NH4]+ 207.19413 161.5
[M+K]+ 228.12347 142.4
[M+H-H2O]+ 172.15757 139.2
[M+HCOO]- 234.15851 164.7
[M+CH3COO]- 248.17416 185.9
[M+Na-2H]- 210.13498 148.9
[M]+ 189.15976 142.8
[M]- 189.16086 142.8
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.