CID 409908

3-methoxycyclohexan-1-amine

Structural Information

Molecular Formula
C7H15NO
SMILES
COC1CCCC(C1)N
InChI
InChI=1S/C7H15NO/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3
InChIKey
JQGZGROVQGEGIO-UHFFFAOYSA-N
Compound name
3-methoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 127.7
[M+Na]+ 152.10459 132.9
[M-H]- 128.10809 130.3
[M+NH4]+ 147.14919 149.3
[M+K]+ 168.07853 132.3
[M+H-H2O]+ 112.11263 122.3
[M+HCOO]- 174.11357 149.2
[M+CH3COO]- 188.12922 173.6
[M+Na-2H]- 150.09004 132.5
[M]+ 129.11482 122.6
[M]- 129.11592 122.6
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