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

103
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 127.7
[M+Na]+ 152.104588 132.9
[M-H]- 128.108094 130.3
[M+NH4]+ 147.149193 149.3
[M+K]+ 168.078528 132.3
[M+H-H2O]+ 112.112630 122.3
[M+HCOO]- 174.113571 149.2
[M+CH3COO]- 188.129221 173.6
[M+Na-2H]- 150.090036 132.5
[M]+ 129.11482142 122.6
[M]- 129.11591858 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