CID 131204237

(but-3-yn-1-yl)(tert-butyl)methylamine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)(C)N(C)CCC#C
InChI
InChI=1S/C9H17N/c1-6-7-8-10(5)9(2,3)4/h1H,7-8H2,2-5H3
InChIKey
HLDTXIYNSAXBDF-UHFFFAOYSA-N
Compound name
N-but-3-ynyl-N,2-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 133.8
[M+Na]+ 162.125318 142.0
[M-H]- 138.128824 134.8
[M+NH4]+ 157.169923 153.8
[M+K]+ 178.099258 141.6
[M+H-H2O]+ 122.133360 123.2
[M+HCOO]- 184.134301 151.1
[M+CH3COO]- 198.149951 190.7
[M+Na-2H]- 160.110766 138.7
[M]+ 139.13555142 130.1
[M]- 139.13664858 130.1
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