CID 21562766

(but-2-yn-1-yl)(methyl)amine hydrochloride

Structural Information

Molecular Formula
C5H9N
SMILES
CC#CCNC
InChI
InChI=1S/C5H9N/c1-3-4-5-6-2/h6H,5H2,1-2H3
InChIKey
NHRCYVYZAAVHCD-UHFFFAOYSA-N
Compound name
N-methylbut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
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 115.2
[M+Na]+ 106.06272 124.5
[M-H]- 82.066224 115.2
[M+NH4]+ 101.10732 136.6
[M+K]+ 122.03666 123.4
[M+H-H2O]+ 66.070760 105.1
[M+HCOO]- 128.07170 134.7
[M+CH3COO]- 142.08735 176.3
[M+Na-2H]- 104.04817 122.5
[M]+ 83.072951 109.5
[M]- 83.074049 109.5
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