CID 2097

Alminoprofen

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)O
InChI
InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
InChIKey
FPHLBGOJWPEVME-UHFFFAOYSA-N
Compound name
2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

26
References

17314
Patents

219.12593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.3
[M+Na]+ 242.11515 156.4
[M-H]- 218.11865 153.3
[M+NH4]+ 237.15975 168.6
[M+K]+ 258.08909 153.9
[M+H-H2O]+ 202.12319 145.1
[M+HCOO]- 264.12413 171.9
[M+CH3COO]- 278.13978 191.8
[M+Na-2H]- 240.10060 152.7
[M]+ 219.12538 150.0
[M]- 219.12648 150.0
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