CID 533848

4-methylpent-3-en-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

99.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 122.7
[M+Na]+ 122.09402 129.2
[M-H]- 98.097524 122.6
[M+NH4]+ 117.13862 145.7
[M+K]+ 138.06796 128.5
[M+H-H2O]+ 82.102060 118.3
[M+HCOO]- 144.10300 146.1
[M+CH3COO]- 158.11865 170.5
[M+Na-2H]- 120.07947 127.7
[M]+ 99.104251 120.7
[M]- 99.105349 120.7
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.