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]+ 172.16959 141.4
[M+Na]+ 194.15153 145.9
[M-H]- 170.15503 143.8
[M+NH4]+ 189.19613 161.5
[M+K]+ 210.12547 145.0
[M+H-H2O]+ 154.15957 136.2
[M+HCOO]- 216.16051 160.3
[M+CH3COO]- 230.17616 182.4
[M+Na-2H]- 192.13698 145.3
[M]+ 171.16176 136.8
[M]- 171.16286 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.