CID 12801384

4-aminohexan-3-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCC(C(CC)O)N
InChI
InChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey
IOYVGJNAPMXLLT-UHFFFAOYSA-N
Compound name
4-aminohexan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

117.115364 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 128.4
[M+Na]+ 140.10458 133.9
[M-H]- 116.10809 126.8
[M+NH4]+ 135.14919 149.8
[M+K]+ 156.07852 133.7
[M+H-H2O]+ 100.11262 123.9
[M+HCOO]- 162.11356 149.3
[M+CH3COO]- 176.12922 172.3
[M+Na-2H]- 138.09003 131.4
[M]+ 117.11482 126.0
[M]- 117.11591 126.0
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

patents stripe