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]+ 154.122646 127.4
[M+Na]+ 176.104588 136.4
[M-H]- 152.108094 128.5
[M+NH4]+ 171.149193 144.2
[M+K]+ 192.078528 134.8
[M+H-H2O]+ 136.112630 115.4
[M+HCOO]- 198.113571 140.7
[M+CH3COO]- 212.129221 186.1
[M+Na-2H]- 174.090036 132.1
[M]+ 153.11482142 120.7
[M]- 153.11591858 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