CID 14919859

Ethyl(2-methylbut-3-yn-2-yl)amine

Structural Information

Molecular Formula
C7H13N
SMILES
CCNC(C)(C)C#C
InChI
InChI=1S/C7H13N/c1-5-7(3,4)8-6-2/h1,8H,6H2,2-4H3
InChIKey
PTAKYPIMFHIKST-UHFFFAOYSA-N
Compound name
N-ethyl-2-methylbut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

111.1048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 126.3
[M+Na]+ 134.09402 135.0
[M-H]- 110.09752 126.3
[M+NH4]+ 129.13862 146.7
[M+K]+ 150.06796 134.0
[M+H-H2O]+ 94.102060 116.3
[M+HCOO]- 156.10300 143.7
[M+CH3COO]- 170.11865 182.6
[M+Na-2H]- 132.07947 132.8
[M]+ 111.10425 120.8
[M]- 111.10535 120.8
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

patents stripe