CID 345766

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

Structural Information

Molecular Formula
C9H15NO
SMILES
CC(C)(C#C)N1CCOCC1
InChI
InChI=1S/C9H15NO/c1-4-9(2,3)10-5-7-11-8-6-10/h1H,5-8H2,2-3H3
InChIKey
BNRQMHZZZUFXNK-UHFFFAOYSA-N
Compound name
4-(2-methylbut-3-yn-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

153.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 136.5
[M+Na]+ 176.10459 147.1
[M+NH4]+ 171.14919 141.1
[M+K]+ 192.07853 139.0
[M-H]- 152.10809 130.4
[M+Na-2H]- 174.09004 138.3
[M]+ 153.11482 135.5
[M]- 153.11592 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe