CID 4490119

Dihydroxyethyl lauramine oxide

Structural Information

Molecular Formula
C16H35NO3
SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)[O-]
InChI
InChI=1S/C16H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17(20,13-15-18)14-16-19/h18-19H,2-16H2,1H3
InChIKey
DZJFABDVWIPEIM-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)dodecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4228
Patents

289.2617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.26898 177.6
[M+Na]+ 312.25092 179.4
[M-H]- 288.25442 173.3
[M+NH4]+ 307.29552 191.8
[M+K]+ 328.22486 171.6
[M+H-H2O]+ 272.25896 176.6
[M+HCOO]- 334.25990 195.8
[M+CH3COO]- 348.27555 195.9
[M+Na-2H]- 310.23637 181.5
[M]+ 289.26115 179.7
[M]- 289.26225 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe