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]+ 172.16959 141.5
[M+Na]+ 194.15153 144.4
[M-H]- 170.15503 143.1
[M+NH4]+ 189.19613 161.0
[M+K]+ 210.12547 143.1
[M+H-H2O]+ 154.15957 135.2
[M+HCOO]- 216.16051 162.0
[M+CH3COO]- 230.17616 181.6
[M+Na-2H]- 192.13698 145.4
[M]+ 171.16176 137.1
[M]- 171.16286 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