CID 10057484

5-methoxypentan-1-amine

Structural Information

Molecular Formula
C6H15NO
SMILES
COCCCCCN
InChI
InChI=1S/C6H15NO/c1-8-6-4-2-3-5-7/h2-7H2,1H3
InChIKey
DMRHQYSRQGGRCK-UHFFFAOYSA-N
Compound name
5-methoxypentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

117.115364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.2
[M+Na]+ 140.10458 132.6
[M-H]- 116.10809 125.9
[M+NH4]+ 135.14919 148.5
[M+K]+ 156.07852 132.5
[M+H-H2O]+ 100.11262 121.4
[M+HCOO]- 162.11356 150.6
[M+CH3COO]- 176.12922 173.3
[M+Na-2H]- 138.09003 132.5
[M]+ 117.11482 127.1
[M]- 117.11591 127.1
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