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

1
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 127.2
[M+Na]+ 134.09402 135.9
[M-H]- 110.09752 126.7
[M+NH4]+ 129.13862 147.3
[M+K]+ 150.06796 134.5
[M+H-H2O]+ 94.102060 117.2
[M+HCOO]- 156.10300 144.0
[M+CH3COO]- 170.11865 182.0
[M+Na-2H]- 132.07947 132.6
[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