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]+ 154.12265 131.4
[M+Na]+ 176.10459 138.1
[M-H]- 152.10809 133.1
[M+NH4]+ 171.14919 148.5
[M+K]+ 192.07853 136.0
[M+H-H2O]+ 136.11263 119.5
[M+HCOO]- 198.11357 146.7
[M+CH3COO]- 212.12922 186.0
[M+Na-2H]- 174.09004 137.3
[M]+ 153.11482 122.8
[M]- 153.11592 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.