CID 118279418

1802630-69-8

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C1(CCNCC1)O)O
InChI
InChI=1S/C8H17NO2/c1-7(2,10)8(11)3-5-9-6-4-8/h9-11H,3-6H2,1-2H3
InChIKey
ICSKAVDIUYLMNS-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropan-2-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.3
[M+Na]+ 182.11515 143.0
[M-H]- 158.11865 135.8
[M+NH4]+ 177.15975 157.5
[M+K]+ 198.08909 141.0
[M+H-H2O]+ 142.12319 134.0
[M+HCOO]- 204.12413 151.8
[M+CH3COO]- 218.13978 168.2
[M+Na-2H]- 180.10060 144.3
[M]+ 159.12538 131.1
[M]- 159.12648 131.1
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