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
trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 131.9
[M+Na]+ 166.120228 138.2
[M-H]- 142.123734 133.7
[M+NH4]+ 161.164833 154.5
[M+K]+ 182.094168 136.6
[M+H-H2O]+ 126.128270 127.9
[M+HCOO]- 188.129211 151.5
[M+CH3COO]- 202.144861 174.8
[M+Na-2H]- 164.105676 136.1
[M]+ 143.13046142 126.0
[M]- 143.13155858 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.