CID 135444057

187884-87-3

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1(CC2=CC=CC=C2C(=NCCC(=O)O)N1)C
InChI
InChI=1S/C14H18N2O2/c1-14(2)9-10-5-3-4-6-11(10)13(16-14)15-8-7-12(17)18/h3-6H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKey
KHJUAUGETKHIEI-UHFFFAOYSA-N
Compound name
3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

246.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.4
[M+Na]+ 269.12605 168.2
[M+NH4]+ 264.17065 166.0
[M+K]+ 285.09999 160.0
[M-H]- 245.12955 158.7
[M+Na-2H]- 267.11150 162.9
[M]+ 246.13628 159.2
[M]- 246.13738 159.2
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