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]+ 270.242746 169.5
[M+Na]+ 292.224688 174.2
[M-H]- 268.228194 170.4
[M+NH4]+ 287.269293 194.2
[M+K]+ 308.198628 171.7
[M+H-H2O]+ 252.232730 166.5
[M+HCOO]- 314.233671 186.1
[M+CH3COO]- 328.249321 202.0
[M+Na-2H]- 290.210136 169.4
[M]+ 269.23492142 170.1
[M]- 269.23601858 170.1
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