CID 249006

Dl-2-amino-1-hexanol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCCCC(CO)N
InChI
InChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3
InChIKey
DPEOTCPCYHSVTC-UHFFFAOYSA-N
Compound name
2-aminohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3446
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 127.8
[M+Na]+ 140.10458 133.5
[M-H]- 116.10809 126.1
[M+NH4]+ 135.14919 149.2
[M+K]+ 156.07852 132.9
[M+H-H2O]+ 100.11262 123.2
[M+HCOO]- 162.11356 149.7
[M+CH3COO]- 176.12922 171.4
[M+Na-2H]- 138.09003 132.1
[M]+ 117.11482 126.1
[M]- 117.11591 126.1
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