CID 155821861

4-ethynyl-n,n-dimethyloxan-4-amine

Structural Information

Molecular Formula
C9H15NO
SMILES
CN(C)C1(CCOCC1)C#C
InChI
InChI=1S/C9H15NO/c1-4-9(10(2)3)5-7-11-8-6-9/h1H,5-8H2,2-3H3
InChIKey
VAJRNAPMWPTQON-UHFFFAOYSA-N
Compound name
4-ethynyl-N,N-dimethyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 131.4
[M+Na]+ 176.10459 139.4
[M-H]- 152.10809 135.0
[M+NH4]+ 171.14919 151.0
[M+K]+ 192.07853 138.1
[M+H-H2O]+ 136.11263 120.3
[M+HCOO]- 198.11357 147.2
[M+CH3COO]- 212.12922 188.8
[M+Na-2H]- 174.09004 137.7
[M]+ 153.11482 124.3
[M]- 153.11592 124.3
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.