CID 209613

3-(2-bornyloxy)-3-(isopropylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C16H31NO2
SMILES
CC(C)NCC(COC1CC2CCC1(C2(C)C)C)O
InChI
InChI=1S/C16H31NO2/c1-11(2)17-9-13(18)10-19-14-8-12-6-7-16(14,5)15(12,3)4/h11-14,17-18H,6-10H2,1-5H3
InChIKey
MWWCDBJWUWLZES-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

269.23547 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.24275 166.7
[M+Na]+ 292.22469 171.5
[M+NH4]+ 287.26929 176.8
[M+K]+ 308.19863 166.9
[M-H]- 268.22819 165.8
[M+Na-2H]- 290.21014 167.9
[M]+ 269.23492 167.0
[M]- 269.23602 167.0
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