CID 17841522

10354-69-5

Structural Information

Molecular Formula
C6H13N
SMILES
CC(C)(CC=C)N
InChI
InChI=1S/C6H13N/c1-4-5-6(2,3)7/h4H,1,5,7H2,2-3H3
InChIKey
IGQKKHDDJXCEFL-UHFFFAOYSA-N
Compound name
2-methylpent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

99.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 121.7
[M+Na]+ 122.09402 128.8
[M-H]- 98.097524 121.8
[M+NH4]+ 117.13862 144.7
[M+K]+ 138.06796 128.0
[M+H-H2O]+ 82.102060 117.9
[M+HCOO]- 144.10300 144.5
[M+CH3COO]- 158.11865 170.6
[M+Na-2H]- 120.07947 128.6
[M]+ 99.104251 119.9
[M]- 99.105349 119.9
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