CID 112707206

4-methoxy-4-methylcyclohexan-1-amine

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1(CCC(CC1)N)OC
InChI
InChI=1S/C8H17NO/c1-8(10-2)5-3-7(9)4-6-8/h7H,3-6,9H2,1-2H3
InChIKey
VTLSCQJMSFVBHH-UHFFFAOYSA-N
Compound name
4-methoxy-4-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 131.7
[M+Na]+ 166.12023 137.4
[M-H]- 142.12373 134.5
[M+NH4]+ 161.16483 154.8
[M+K]+ 182.09417 136.8
[M+H-H2O]+ 126.12827 127.1
[M+HCOO]- 188.12921 152.8
[M+CH3COO]- 202.14486 176.2
[M+Na-2H]- 164.10568 137.1
[M]+ 143.13046 127.3
[M]- 143.13156 127.3
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