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

6
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

patents stripe