CID 13202184

2445784-14-3

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC1(CC(CCO1)(CN)O)C
InChI
InChI=1S/C8H17NO2/c1-7(2)5-8(10,6-9)3-4-11-7/h10H,3-6,9H2,1-2H3
InChIKey
DVGXRMQCSUZQER-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2,2-dimethyloxan-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 134.1
[M+Na]+ 182.11515 140.5
[M-H]- 158.11865 136.6
[M+NH4]+ 177.15975 156.6
[M+K]+ 198.08909 140.6
[M+H-H2O]+ 142.12319 130.5
[M+HCOO]- 204.12413 153.0
[M+CH3COO]- 218.13978 175.5
[M+Na-2H]- 180.10060 141.4
[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.