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

14668
Patents

117.115364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 126.9
[M+Na]+ 140.104582 132.8
[M-H]- 116.108088 125.1
[M+NH4]+ 135.149187 148.4
[M+K]+ 156.078522 131.7
[M+H-H2O]+ 100.112624 122.2
[M+HCOO]- 162.113565 149.8
[M+CH3COO]- 176.129215 170.6
[M+Na-2H]- 138.090030 132.6
[M]+ 117.11481542 125.8
[M]- 117.11591258 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

literature stripe

Patent stripe

patents stripe