CID 3798323

3-amino-3-(1,3-dioxaindan-5-yl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1OC2=C(O1)C=C(C=C2)C(CCO)N
InChI
InChI=1S/C10H13NO3/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5,8,12H,3-4,6,11H2
InChIKey
LRXZDIRVMLNWST-UHFFFAOYSA-N
Compound name
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.5
[M+Na]+ 218.07876 148.2
[M-H]- 194.08226 145.4
[M+NH4]+ 213.12336 159.8
[M+K]+ 234.05270 148.1
[M+H-H2O]+ 178.08680 136.2
[M+HCOO]- 240.08774 161.5
[M+CH3COO]- 254.10339 182.1
[M+Na-2H]- 216.06421 147.6
[M]+ 195.08899 141.6
[M]- 195.09009 141.6
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