CID 134836185

3-ethynyloxetan-3-amine;hydrochloride

Structural Information

Molecular Formula
C5H7NO
SMILES
C#CC1(COC1)N
InChI
InChI=1S/C5H7NO/c1-2-5(6)3-7-4-5/h1H,3-4,6H2
InChIKey
MZKAAOCMGAVROY-UHFFFAOYSA-N
Compound name
3-ethynyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

97.052765 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 111.8
[M+Na]+ 120.04198 120.3
[M-H]- 96.045489 114.8
[M+NH4]+ 115.08659 127.0
[M+K]+ 136.01592 123.4
[M+H-H2O]+ 80.050025 97.9
[M+HCOO]- 142.05097 128.8
[M+CH3COO]- 156.06662 179.1
[M+Na-2H]- 118.02743 120.1
[M]+ 97.052216 112.8
[M]- 97.053314 112.8
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

No patent data available for this compound.