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

67
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

literature stripe

Patent stripe

patents stripe