CID 17756669

Uwa-101

Structural Information

Molecular Formula
C13H17NO2
SMILES
CNC(CC1=CC2=C(C=C1)OCO2)C3CC3
InChI
InChI=1S/C13H17NO2/c1-14-11(10-3-4-10)6-9-2-5-12-13(7-9)16-8-15-12/h2,5,7,10-11,14H,3-4,6,8H2,1H3
InChIKey
DNROCNZQNQSVOG-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-1-cyclopropyl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

219.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 145.5
[M+Na]+ 242.115148 153.6
[M-H]- 218.118654 154.8
[M+NH4]+ 237.159753 159.1
[M+K]+ 258.089088 152.7
[M+H-H2O]+ 202.123190 139.2
[M+HCOO]- 264.124131 166.5
[M+CH3COO]- 278.139781 158.5
[M+Na-2H]- 240.100596 152.1
[M]+ 219.12538142 149.4
[M]- 219.12647858 149.4
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