CID 96636765

2307746-64-9

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1(CC[C@H]([C@@H](C1)N)O)C
InChI
InChI=1S/C8H17NO/c1-8(2)4-3-7(10)6(9)5-8/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m1/s1
InChIKey
JWOAXHVWBQPKKV-RNFRBKRXSA-N
Compound name
(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 131.9
[M+Na]+ 166.12023 138.2
[M-H]- 142.12373 133.7
[M+NH4]+ 161.16483 154.5
[M+K]+ 182.09417 136.6
[M+H-H2O]+ 126.12827 127.9
[M+HCOO]- 188.12921 151.5
[M+CH3COO]- 202.14486 174.8
[M+Na-2H]- 164.10568 136.1
[M]+ 143.13046 126.0
[M]- 143.13156 126.0
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.