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

76
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 126.6
[M+Na]+ 134.09402 135.4
[M-H]- 110.09752 126.6
[M+NH4]+ 129.13862 147.1
[M+K]+ 150.06796 134.4
[M+H-H2O]+ 94.102060 116.7
[M+HCOO]- 156.10300 144.1
[M+CH3COO]- 170.11865 182.0
[M+Na-2H]- 132.07947 133.1
[M]+ 111.10425 121.1
[M]- 111.10535 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