CID 52045

73664-21-8

Structural Information

Molecular Formula
C9H21N2O2
SMILES
CC(C(=O)NCCC[N+](C)(C)C)O
InChI
InChI=1S/C9H20N2O2/c1-8(12)9(13)10-6-5-7-11(2,3)4/h8,12H,5-7H2,1-4H3/p+1
InChIKey
WZIOSUBBAQYAKR-UHFFFAOYSA-O
Compound name
3-(2-hydroxypropanoylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

154
Patents

189.16031 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.167586 141.9
[M+Na]+ 212.149528 146.5
[M-H]- 188.153034 142.3
[M+NH4]+ 207.194133 161.1
[M+K]+ 228.123468 141.4
[M+H-H2O]+ 172.157570 139.8
[M+HCOO]- 234.158511 163.6
[M+CH3COO]- 248.174161 183.1
[M+Na-2H]- 210.134976 148.7
[M]+ 189.15976142 141.2
[M]- 189.16085858 141.2
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