CID 23437913

4-(pent-4-yn-1-yl)morpholine hydrochloride

Structural Information

Molecular Formula
C9H15NO
SMILES
C#CCCCN1CCOCC1
InChI
InChI=1S/C9H15NO/c1-2-3-4-5-10-6-8-11-9-7-10/h1H,3-9H2
InChIKey
HJRPJABSMZJSBA-UHFFFAOYSA-N
Compound name
4-pent-4-ynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

153.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 128.2
[M+Na]+ 176.10459 135.6
[M-H]- 152.10809 128.5
[M+NH4]+ 171.14919 144.4
[M+K]+ 192.07853 133.7
[M+H-H2O]+ 136.11263 115.6
[M+HCOO]- 198.11357 141.4
[M+CH3COO]- 212.12922 184.1
[M+Na-2H]- 174.09004 134.1
[M]+ 153.11482 120.8
[M]- 153.11592 120.8
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