CID 81643

7223-38-3

Structural Information

Molecular Formula
C5H9N
SMILES
CN(C)CC#C
InChI
InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
InChIKey
ILBIXZPOMJFOJP-UHFFFAOYSA-N
Compound name
N,N-dimethylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

4948
Patents

83.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.5
[M+Na]+ 106.06272 123.8
[M-H]- 82.066224 115.8
[M+NH4]+ 101.10732 136.4
[M+K]+ 122.03666 124.0
[M+H-H2O]+ 66.070760 104.1
[M+HCOO]- 128.07170 134.4
[M+CH3COO]- 142.08735 180.2
[M+Na-2H]- 104.04817 121.1
[M]+ 83.072951 110.0
[M]- 83.074049 110.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe