CID 54273706

Wny6gna2uw

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC(CC1=CC2=C(C=C1Cl)OCO2)N
InChI
InChI=1S/C10H12ClNO2/c1-6(12)2-7-3-9-10(4-8(7)11)14-5-13-9/h3-4,6H,2,5,12H2,1H3
InChIKey
RLXSVYSNRAKQGZ-UHFFFAOYSA-N
Compound name
1-(6-chloro-1,3-benzodioxol-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

213.05565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 146.8
[M+Na]+ 236.04487 155.7
[M-H]- 212.04837 152.2
[M+NH4]+ 231.08947 166.4
[M+K]+ 252.01881 154.0
[M+H-H2O]+ 196.05291 142.4
[M+HCOO]- 258.05385 163.4
[M+CH3COO]- 272.06950 187.4
[M+Na-2H]- 234.03032 151.9
[M]+ 213.05510 149.7
[M]- 213.05620 149.7
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

No patent data available for this compound.