CID 50988124

1258650-28-0

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1(CCCC1)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C14H19NO2/c1-14(6-2-3-7-14)15-9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKey
HWEYGSNBXQGJSF-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-1-methylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 151.8
[M+Na]+ 256.13081 157.8
[M-H]- 232.13431 160.2
[M+NH4]+ 251.17541 173.0
[M+K]+ 272.10475 157.0
[M+H-H2O]+ 216.13885 146.6
[M+HCOO]- 278.13979 172.8
[M+CH3COO]- 292.15544 164.7
[M+Na-2H]- 254.11626 157.2
[M]+ 233.14104 151.1
[M]- 233.14214 151.1
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

No patent data available for this compound.