CID 6558

Isobutylamine

Structural Information

Molecular Formula
C4H11N
SMILES
CC(C)CN
InChI
InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
InChIKey
KDSNLYIMUZNERS-UHFFFAOYSA-N
Compound name
2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

63
References

71978
Patents

73.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.096426 114.7
[M+Na]+ 96.078368 121.7
[M-H]- 72.081874 114.9
[M+NH4]+ 91.122973 138.7
[M+K]+ 112.05231 122.1
[M+H-H2O]+ 56.086410 110.6
[M+HCOO]- 118.08735 138.5
[M+CH3COO]- 132.10300 166.0
[M+Na-2H]- 94.063816 120.8
[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.