CID 55281354

2,2-dimethylpent-4-yn-1-amine

Structural Information

Molecular Formula
C7H13N
SMILES
CC(C)(CC#C)CN
InChI
InChI=1S/C7H13N/c1-4-5-7(2,3)6-8/h1H,5-6,8H2,2-3H3
InChIKey
YELQCLBHDJTVOT-UHFFFAOYSA-N
Compound name
2,2-dimethylpent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 127.2
[M+Na]+ 134.094018 135.9
[M-H]- 110.097524 126.7
[M+NH4]+ 129.138623 147.3
[M+K]+ 150.067958 134.5
[M+H-H2O]+ 94.102060 117.2
[M+HCOO]- 156.103001 144.0
[M+CH3COO]- 170.118651 182.0
[M+Na-2H]- 132.079466 132.6
[M]+ 111.10425142 120.8
[M]- 111.10534858 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