CID 8007

Butylamine

Structural Information

Molecular Formula
C4H11N
SMILES
CCCCN
InChI
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
InChIKey
HQABUPZFAYXKJW-UHFFFAOYSA-N
Compound name
butan-1-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

422
References

86195
Patents

73.08915 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.096426 114.0
[M+Na]+ 96.078368 121.2
[M-H]- 72.081874 114.1
[M+NH4]+ 91.122973 138.0
[M+K]+ 112.05231 121.2
[M+H-H2O]+ 56.086410 109.8
[M+HCOO]- 118.08735 138.8
[M+CH3COO]- 132.10300 165.2
[M+Na-2H]- 94.063816 121.4
[M]+ 73.088601 112.7
[M]- 73.089699 112.7
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.