CID 211122

22331-78-8

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)NC(C)CC1=CC=CC=C1OC
InChI
InChI=1S/C13H21NO/c1-10(2)14-11(3)9-12-7-5-6-8-13(12)15-4/h5-8,10-11,14H,9H2,1-4H3
InChIKey
VIWVDXYATJDPPN-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 150.4
[M+Na]+ 230.15153 155.6
[M-H]- 206.15503 153.7
[M+NH4]+ 225.19613 169.2
[M+K]+ 246.12547 154.2
[M+H-H2O]+ 190.15957 143.9
[M+HCOO]- 252.16051 172.8
[M+CH3COO]- 266.17616 193.1
[M+Na-2H]- 228.13698 153.4
[M]+ 207.16176 151.5
[M]- 207.16286 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.