CID 115873252

Methyl(pent-4-yn-1-yl)(propan-2-yl)amine

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)N(C)CCCC#C
InChI
InChI=1S/C9H17N/c1-5-6-7-8-10(4)9(2)3/h1,9H,6-8H2,2-4H3
InChIKey
MMEXPGVACNXRLW-UHFFFAOYSA-N
Compound name
N-methyl-N-propan-2-ylpent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 132.6
[M+Na]+ 162.12532 142.3
[M+NH4]+ 157.16992 137.4
[M+K]+ 178.09926 133.8
[M-H]- 138.12882 125.6
[M+Na-2H]- 160.11077 134.1
[M]+ 139.13555 131.1
[M]- 139.13665 131.1
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

No patent data available for this compound.