CID 63655853

N-(but-3-yn-1-yl)oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C9H15NO
SMILES
C#CCCNC1CCOCC1
InChI
InChI=1S/C9H15NO/c1-2-3-6-10-9-4-7-11-8-5-9/h1,9-10H,3-8H2
InChIKey
ZWNXCUUUQPTHQE-UHFFFAOYSA-N
Compound name
N-but-3-ynyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.4
[M+Na]+ 176.104588 138.1
[M-H]- 152.108094 133.1
[M+NH4]+ 171.149193 148.5
[M+K]+ 192.078528 136.0
[M+H-H2O]+ 136.112630 119.5
[M+HCOO]- 198.113571 146.7
[M+CH3COO]- 212.129221 186.0
[M+Na-2H]- 174.090036 137.3
[M]+ 153.11482142 122.8
[M]- 153.11591858 122.8
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

No patent data available for this compound.