CID 135455147

187884-86-2

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1(CC2=CC=CC=C2C(=NCC(=O)O)N1)C
InChI
InChI=1S/C13H16N2O2/c1-13(2)7-9-5-3-4-6-10(9)12(15-13)14-8-11(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
RHVLVOXVZFRCAX-UHFFFAOYSA-N
Compound name
2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.1
[M+Na]+ 255.11041 159.0
[M-H]- 231.11391 153.7
[M+NH4]+ 250.15501 170.8
[M+K]+ 271.08435 155.4
[M+H-H2O]+ 215.11845 145.7
[M+HCOO]- 277.11939 170.3
[M+CH3COO]- 291.13504 191.0
[M+Na-2H]- 253.09586 158.0
[M]+ 232.12064 149.1
[M]- 232.12174 149.1
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.