CID 22129

2-aminobutan-1-ol

Structural Information

Molecular Formula
C4H11NO
SMILES
CCC(CO)N
InChI
InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
InChIKey
JCBPETKZIGVZRE-UHFFFAOYSA-N
Compound name
2-aminobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

23669
Patents

89.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 118.6
[M+Na]+ 112.07328 125.1
[M-H]- 88.076784 117.3
[M+NH4]+ 107.11788 141.1
[M+K]+ 128.04722 125.0
[M+H-H2O]+ 72.081320 114.4
[M+HCOO]- 134.08226 141.1
[M+CH3COO]- 148.09791 165.3
[M+Na-2H]- 110.05873 124.0
[M]+ 89.083511 116.1
[M]- 89.084609 116.1
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