CID 103439264

N-(2-methylbut-3-yn-2-yl)cyclopropanamine

Structural Information

Molecular Formula
C8H13N
SMILES
CC(C)(C#C)NC1CC1
InChI
InChI=1S/C8H13N/c1-4-8(2,3)9-7-5-6-7/h1,7,9H,5-6H2,2-3H3
InChIKey
PCCWAIYQMJSKDR-UHFFFAOYSA-N
Compound name
N-(2-methylbut-3-yn-2-yl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 125.0
[M+Na]+ 146.09402 139.3
[M-H]- 122.09752 130.4
[M+NH4]+ 141.13862 142.3
[M+K]+ 162.06796 134.1
[M+H-H2O]+ 106.10206 116.6
[M+HCOO]- 168.10300 144.4
[M+CH3COO]- 182.11865 187.0
[M+Na-2H]- 144.07947 133.4
[M]+ 123.10425 123.0
[M]- 123.10535 123.0
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.