CID 2562100

1158194-77-4

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)(C)NCC1=CC=C(C=C1)OCC=C
InChI
InChI=1S/C14H21NO/c1-5-10-16-13-8-6-12(7-9-13)11-15-14(2,3)4/h5-9,15H,1,10-11H2,2-4H3
InChIKey
XQXWCCWVAVPCPP-UHFFFAOYSA-N
Compound name
2-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.9
[M+Na]+ 242.15153 159.1
[M-H]- 218.15503 156.3
[M+NH4]+ 237.19613 171.6
[M+K]+ 258.12547 156.3
[M+H-H2O]+ 202.15957 146.8
[M+HCOO]- 264.16051 175.8
[M+CH3COO]- 278.17616 193.2
[M+Na-2H]- 240.13698 158.7
[M]+ 219.16176 154.5
[M]- 219.16286 154.5
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

No patent data available for this compound.