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

1
Patents

267.21982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.227096 168.2
[M+Na]+ 290.209038 167.1
[M-H]- 266.212544 162.2
[M+NH4]+ 285.253643 190.9
[M+K]+ 306.182978 165.3
[M+H-H2O]+ 250.217080 161.8
[M+HCOO]- 312.218021 173.2
[M+CH3COO]- 326.233671 209.8
[M+Na-2H]- 288.194486 175.7
[M]+ 267.21927142 169.5
[M]- 267.22036858 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