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 131.9
[M+Na]+ 162.12532 139.6
[M-H]- 138.12882 132.6
[M+NH4]+ 157.16992 151.7
[M+K]+ 178.09926 139.0
[M+H-H2O]+ 122.13336 120.8
[M+HCOO]- 184.13430 149.8
[M+CH3COO]- 198.14995 191.8
[M+Na-2H]- 160.11077 135.4
[M]+ 139.13555 128.2
[M]- 139.13665 128.2
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.