CID 105431265

4-(2-aminopropan-2-yl)oxan-4-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C1(CCOCC1)O)N
InChI
InChI=1S/C8H17NO2/c1-7(2,9)8(10)3-5-11-6-4-8/h10H,3-6,9H2,1-2H3
InChIKey
DRTUQBAOEUHXMO-UHFFFAOYSA-N
Compound name
4-(2-aminopropan-2-yl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 135.5
[M+Na]+ 182.11515 140.3
[M-H]- 158.11865 137.4
[M+NH4]+ 177.15975 155.6
[M+K]+ 198.08909 140.6
[M+H-H2O]+ 142.12319 131.3
[M+HCOO]- 204.12413 152.9
[M+CH3COO]- 218.13978 174.9
[M+Na-2H]- 180.10060 143.0
[M]+ 159.12538 130.5
[M]- 159.12648 130.5
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.