CID 96160

2-propyn-1-amine, n-methyl-

Structural Information

Molecular Formula
C4H7N
SMILES
CNCC#C
InChI
InChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
InChIKey
HQFYIDOMCULPIW-UHFFFAOYSA-N
Compound name
N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2987
Patents

69.057846 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 110.9
[M+Na]+ 92.047064 120.4
[M-H]- 68.050570 111.0
[M+NH4]+ 87.091669 132.7
[M+K]+ 108.02100 119.7
[M+H-H2O]+ 52.055106 100.9
[M+HCOO]- 114.05605 130.6
[M+CH3COO]- 128.07170 174.2
[M+Na-2H]- 90.032512 118.7
[M]+ 69.057297 105.0
[M]- 69.058395 105.0
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