CID 64138051

2825005-86-3

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC1(CC(CCO1)(CO)N)C
InChI
InChI=1S/C8H17NO2/c1-7(2)5-8(9,6-10)3-4-11-7/h10H,3-6,9H2,1-2H3
InChIKey
VYVXUOZFAODJMF-UHFFFAOYSA-N
Compound name
(4-amino-2,2-dimethyloxan-4-yl)methanol
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]+ 160.133206 134.1
[M+Na]+ 182.115148 140.5
[M-H]- 158.118654 136.6
[M+NH4]+ 177.159753 156.6
[M+K]+ 198.089088 140.6
[M+H-H2O]+ 142.123190 130.5
[M+HCOO]- 204.124131 153.0
[M+CH3COO]- 218.139781 175.5
[M+Na-2H]- 180.100596 141.4
[M]+ 159.12538142 130.5
[M]- 159.12647858 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.