CID 25868

4-amino-1-butanol

Structural Information

Molecular Formula
C4H11NO
SMILES
C(CCO)CN
InChI
InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
InChIKey
BLFRQYKZFKYQLO-UHFFFAOYSA-N
Compound name
4-aminobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

42838
Patents

89.08406 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 117.8
[M+Na]+ 112.07328 124.5
[M-H]- 88.076784 116.4
[M+NH4]+ 107.11788 140.3
[M+K]+ 128.04722 123.9
[M+H-H2O]+ 72.081320 113.5
[M+HCOO]- 134.08226 141.3
[M+CH3COO]- 148.09791 164.5
[M+Na-2H]- 110.05873 124.5
[M]+ 89.083511 116.0
[M]- 89.084609 116.0
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