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]+ 130.12265 127.6
[M+Na]+ 152.10459 134.3
[M-H]- 128.10809 128.9
[M+NH4]+ 147.14919 148.6
[M+K]+ 168.07853 134.4
[M+H-H2O]+ 112.11263 122.7
[M+HCOO]- 174.11357 145.0
[M+CH3COO]- 188.12922 168.9
[M+Na-2H]- 150.09004 134.8
[M]+ 129.11482 123.9
[M]- 129.11592 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