CID 87587

N-ethyl-2-methylallylamine

Structural Information

Molecular Formula
C6H13N
SMILES
CCNCC(=C)C
InChI
InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3
InChIKey
AXTLFVLHXSDZOW-UHFFFAOYSA-N
Compound name
N-ethyl-2-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

728
Patents

99.1048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 122.0
[M+Na]+ 122.09402 128.4
[M-H]- 98.097524 122.3
[M+NH4]+ 117.13862 145.1
[M+K]+ 138.06796 128.1
[M+H-H2O]+ 82.102060 117.5
[M+HCOO]- 144.10300 145.9
[M+CH3COO]- 158.11865 171.9
[M+Na-2H]- 120.07947 128.1
[M]+ 99.104251 121.0
[M]- 99.105349 121.0
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