CID 93513021

1800579-12-7

Structural Information

Molecular Formula
C9H15NO
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC#C
InChI
InChI=1S/C9H15NO/c1-4-5-10-6-8(2)11-9(3)7-10/h1,8-9H,5-7H2,2-3H3/t8-,9+
InChIKey
MIZZHIJHLUWAGH-DTORHVGOSA-N
Compound name
(2R,6S)-2,6-dimethyl-4-prop-2-ynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 127.4
[M+Na]+ 176.10459 136.4
[M-H]- 152.10809 128.5
[M+NH4]+ 171.14919 144.2
[M+K]+ 192.07853 134.8
[M+H-H2O]+ 136.11263 115.4
[M+HCOO]- 198.11357 140.7
[M+CH3COO]- 212.12922 186.1
[M+Na-2H]- 174.09004 132.1
[M]+ 153.11482 120.7
[M]- 153.11592 120.7
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