CID 63656654

(but-3-yn-1-yl)(2,2-dimethylpropyl)amine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)(C)CNCCC#C
InChI
InChI=1S/C9H17N/c1-5-6-7-10-8-9(2,3)4/h1,10H,6-8H2,2-4H3
InChIKey
VYEDBIDNIGZHMS-UHFFFAOYSA-N
Compound name
N-but-3-ynyl-2,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 134.6
[M+Na]+ 162.12532 142.7
[M-H]- 138.12882 134.3
[M+NH4]+ 157.16992 154.1
[M+K]+ 178.09926 141.1
[M+H-H2O]+ 122.13336 124.3
[M+HCOO]- 184.13430 151.5
[M+CH3COO]- 198.14995 187.5
[M+Na-2H]- 160.11077 140.1
[M]+ 139.13555 129.7
[M]- 139.13665 129.8
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

No patent data available for this compound.