CID 121273615

4-(but-3-yn-2-yl)morpholine

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(C#C)N1CCOCC1
InChI
InChI=1S/C8H13NO/c1-3-8(2)9-4-6-10-7-5-9/h1,8H,4-7H2,2H3
InChIKey
IPPZQTPGJZCMMK-UHFFFAOYSA-N
Compound name
4-but-3-yn-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 125.5
[M+Na]+ 162.08894 133.0
[M-H]- 138.09244 126.0
[M+NH4]+ 157.13354 142.1
[M+K]+ 178.06288 131.8
[M+H-H2O]+ 122.09698 113.2
[M+HCOO]- 184.09792 138.1
[M+CH3COO]- 198.11357 182.2
[M+Na-2H]- 160.07439 130.7
[M]+ 139.09917 117.1
[M]- 139.10027 117.1
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