CID 123168

2687-45-8

Structural Information

Molecular Formula
C6H15NO
SMILES
CC[N+](CC)(CC)[O-]
InChI
InChI=1S/C6H15NO/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3
InChIKey
LFMTUFVYMCDPGY-UHFFFAOYSA-N
Compound name
N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1444
Patents

117.115364 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 124.0
[M+Na]+ 140.104582 131.1
[M-H]- 116.108088 124.6
[M+NH4]+ 135.149187 146.7
[M+K]+ 156.078522 127.1
[M+H-H2O]+ 100.112624 125.2
[M+HCOO]- 162.113565 148.1
[M+CH3COO]- 176.129215 167.4
[M+Na-2H]- 138.090030 133.9
[M]+ 117.11481542 123.5
[M]- 117.11591258 123.5
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