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]+ 154.122646 131.4
[M+Na]+ 176.104588 139.4
[M-H]- 152.108094 135.0
[M+NH4]+ 171.149193 151.0
[M+K]+ 192.078528 138.1
[M+H-H2O]+ 136.112630 120.3
[M+HCOO]- 198.113571 147.2
[M+CH3COO]- 212.129221 188.8
[M+Na-2H]- 174.090036 137.7
[M]+ 153.11482142 124.3
[M]- 153.11591858 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.