CID 19960

6-amino-1-hexanol

Structural Information

Molecular Formula
C6H15NO
SMILES
C(CCCO)CCN
InChI
InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKey
SUTWPJHCRAITLU-UHFFFAOYSA-N
Compound name
6-aminohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

14589
Patents

117.115364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.9
[M+Na]+ 140.10458 132.8
[M-H]- 116.10809 125.1
[M+NH4]+ 135.14919 148.4
[M+K]+ 156.07852 131.7
[M+H-H2O]+ 100.11262 122.2
[M+HCOO]- 162.11356 149.8
[M+CH3COO]- 176.12922 170.6
[M+Na-2H]- 138.09003 132.6
[M]+ 117.11482 125.8
[M]- 117.11591 125.8
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.