CID 6436932

3435-52-7

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)COC(=O)/C=C/C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C15H21NO2/c1-12(2)11-18-15(17)10-7-13-5-8-14(9-6-13)16(3)4/h5-10,12H,11H2,1-4H3/b10-7+
InChIKey
INWSGMUDMWLVJX-JXMROGBWSA-N
Compound name
2-methylpropyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

247.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 159.9
[M+Na]+ 270.146448 165.2
[M-H]- 246.149954 164.5
[M+NH4]+ 265.191053 177.7
[M+K]+ 286.120388 164.0
[M+H-H2O]+ 230.154490 152.9
[M+HCOO]- 292.155431 182.9
[M+CH3COO]- 306.171081 201.6
[M+Na-2H]- 268.131896 161.3
[M]+ 247.15668142 163.0
[M]- 247.15777858 163.0
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

patents stripe