CID 22689116

2,5,5-trimethylmorpholine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CNC(CO1)(C)C
InChI
InChI=1S/C7H15NO/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3
InChIKey
HNEUNOOQVVWQNF-UHFFFAOYSA-N
Compound name
2,5,5-trimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.6
[M+Na]+ 152.104588 134.3
[M-H]- 128.108094 128.9
[M+NH4]+ 147.149193 148.6
[M+K]+ 168.078528 134.4
[M+H-H2O]+ 112.112630 122.7
[M+HCOO]- 174.113571 145.0
[M+CH3COO]- 188.129221 168.9
[M+Na-2H]- 150.090036 134.8
[M]+ 129.11482142 123.9
[M]- 129.11591858 123.9
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