CID 130636593

(3r)-3-methyl-4-(prop-2-yn-1-yl)morpholine

Structural Information

Molecular Formula
C8H13NO
SMILES
C[C@@H]1COCCN1CC#C
InChI
InChI=1S/C8H13NO/c1-3-4-9-5-6-10-7-8(9)2/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKey
MHGFOSFOXACEJI-MRVPVSSYSA-N
Compound name
(3R)-3-methyl-4-prop-2-ynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 123.9
[M+Na]+ 162.08894 132.4
[M-H]- 138.09244 124.7
[M+NH4]+ 157.13354 140.9
[M+K]+ 178.06288 130.9
[M+H-H2O]+ 122.09698 111.8
[M+HCOO]- 184.09792 137.4
[M+CH3COO]- 198.11357 182.4
[M+Na-2H]- 160.07439 129.7
[M]+ 139.09917 116.5
[M]- 139.10027 116.5
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

No patent data available for this compound.