CID 64268

27866-19-9

Structural Information

Molecular Formula
C16H29NO2
SMILES
CN(C)CC(COCC12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C16H29NO2/c1-17(2)9-15(18)10-19-11-16-6-12-3-13(7-16)5-14(4-12)8-16/h12-15,18H,3-11H2,1-2H3
InChIKey
HTQQGRZQGSDYCQ-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

267.21982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 168.2
[M+Na]+ 290.20904 167.1
[M-H]- 266.21254 162.2
[M+NH4]+ 285.25364 190.9
[M+K]+ 306.18298 165.3
[M+H-H2O]+ 250.21708 161.8
[M+HCOO]- 312.21802 173.2
[M+CH3COO]- 326.23367 209.8
[M+Na-2H]- 288.19449 175.7
[M]+ 267.21927 169.5
[M]- 267.22037 169.5
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

patents stripe