CID 46840060

3-tert-butoxycyclohexanamine

Structural Information

Molecular Formula
C10H21NO
SMILES
CC(C)(C)OC1CCCC(C1)N
InChI
InChI=1S/C10H21NO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h8-9H,4-7,11H2,1-3H3
InChIKey
QACQAAPXDRKMNZ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 141.4
[M+Na]+ 194.151528 145.9
[M-H]- 170.155034 143.8
[M+NH4]+ 189.196133 161.5
[M+K]+ 210.125468 145.0
[M+H-H2O]+ 154.159570 136.2
[M+HCOO]- 216.160511 160.3
[M+CH3COO]- 230.176161 182.4
[M+Na-2H]- 192.136976 145.3
[M]+ 171.16176142 136.8
[M]- 171.16285858 136.8
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

No patent data available for this compound.