CID 243522

N-tert-butylprop-2-yn-1-amine

Structural Information

Molecular Formula
C7H13N
SMILES
CC(C)(C)NCC#C
InChI
InChI=1S/C7H13N/c1-5-6-8-7(2,3)4/h1,8H,6H2,2-4H3
InChIKey
HFHYSEXNJLYHIF-UHFFFAOYSA-N
Compound name
2-methyl-N-prop-2-ynylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

111.1048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 126.6
[M+Na]+ 134.094018 135.4
[M-H]- 110.097524 126.6
[M+NH4]+ 129.138623 147.1
[M+K]+ 150.067958 134.4
[M+H-H2O]+ 94.102060 116.7
[M+HCOO]- 156.103001 144.1
[M+CH3COO]- 170.118651 182.0
[M+Na-2H]- 132.079466 133.1
[M]+ 111.10425142 121.1
[M]- 111.10534858 121.1
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