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

59
Patents

153.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 128.2
[M+Na]+ 176.104588 135.6
[M-H]- 152.108094 128.5
[M+NH4]+ 171.149193 144.4
[M+K]+ 192.078528 133.7
[M+H-H2O]+ 136.112630 115.6
[M+HCOO]- 198.113571 141.4
[M+CH3COO]- 212.129221 184.1
[M+Na-2H]- 174.090036 134.1
[M]+ 153.11482142 120.8
[M]- 153.11591858 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