CID 551630

74341-79-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(CC1=CC2=C(C=C1)OCO2)N(C)C
InChI
InChI=1S/C12H17NO2/c1-9(13(2)3)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9H,6,8H2,1-3H3
InChIKey
JEJGUIDNYBAPGN-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

367
Patents

207.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.2
[M+Na]+ 230.11515 154.7
[M-H]- 206.11865 155.1
[M+NH4]+ 225.15975 167.7
[M+K]+ 246.08909 156.2
[M+H-H2O]+ 190.12319 142.3
[M+HCOO]- 252.12413 169.9
[M+CH3COO]- 266.13978 192.6
[M+Na-2H]- 228.10060 153.7
[M]+ 207.12538 151.5
[M]- 207.12648 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe