CID 215422

35648-99-8

Structural Information

Molecular Formula
C9H22NO2
SMILES
CC[N+](CC)(CC)CC(CO)O
InChI
InChI=1S/C9H22NO2/c1-4-10(5-2,6-3)7-9(12)8-11/h9,11-12H,4-8H2,1-3H3/q+1
InChIKey
RKYCOBOVVNRLCI-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

176.16505 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.172326 140.6
[M+Na]+ 199.154268 145.6
[M-H]- 175.157774 139.5
[M+NH4]+ 194.198873 160.1
[M+K]+ 215.128208 139.7
[M+H-H2O]+ 159.162310 139.0
[M+HCOO]- 221.163251 160.5
[M+CH3COO]- 235.178901 176.6
[M+Na-2H]- 197.139716 147.8
[M]+ 176.16450142 140.3
[M]- 176.16559858 140.3
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