CID 20481707

4-amino-2-cyclohexylbutan-2-ol

Structural Information

Molecular Formula
C10H21NO
SMILES
CC(CCN)(C1CCCCC1)O
InChI
InChI=1S/C10H21NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h9,12H,2-8,11H2,1H3
InChIKey
RLXPHHPHRJZEMO-UHFFFAOYSA-N
Compound name
4-amino-2-cyclohexylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.16231 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16959 142.0
[M+Na]+ 194.15153 145.0
[M-H]- 170.15503 142.4
[M+NH4]+ 189.19613 160.9
[M+K]+ 210.12547 143.1
[M+H-H2O]+ 154.15957 136.7
[M+HCOO]- 216.16051 159.3
[M+CH3COO]- 230.17616 179.4
[M+Na-2H]- 192.13698 146.0
[M]+ 171.16176 135.2
[M]- 171.16286 135.2
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