CID 10866620

2,2-dimethoxycyclohexan-1-amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
COC1(CCCCC1N)OC
InChI
InChI=1S/C8H17NO2/c1-10-8(11-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKey
MCOLOLWDFKRJSF-UHFFFAOYSA-N
Compound name
2,2-dimethoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 134.6
[M+Na]+ 182.115148 140.3
[M-H]- 158.118654 137.4
[M+NH4]+ 177.159753 157.0
[M+K]+ 198.089088 140.2
[M+H-H2O]+ 142.123190 129.8
[M+HCOO]- 204.124131 156.0
[M+CH3COO]- 218.139781 178.3
[M+Na-2H]- 180.100596 140.1
[M]+ 159.12538142 131.7
[M]- 159.12647858 131.7
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