CID 57248919

3-(cyclohexylmethoxy)propan-1-amine

Structural Information

Molecular Formula
C10H21NO
SMILES
C1CCC(CC1)COCCCN
InChI
InChI=1S/C10H21NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h10H,1-9,11H2
InChIKey
OXEAZWBMWDYPLQ-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.16231 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 141.5
[M+Na]+ 194.151528 144.4
[M-H]- 170.155034 143.1
[M+NH4]+ 189.196133 161.0
[M+K]+ 210.125468 143.1
[M+H-H2O]+ 154.159570 135.2
[M+HCOO]- 216.160511 162.0
[M+CH3COO]- 230.176161 181.6
[M+Na-2H]- 192.136976 145.4
[M]+ 171.16176142 137.1
[M]- 171.16285858 137.1
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