CID 5358906

59971-42-5

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CN(C)N=NC1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C11H13N3O2/c1-14(2)13-12-10-6-3-9(4-7-10)5-8-11(15)16/h3-8H,1-2H3,(H,15,16)/b8-5+,13-12?
InChIKey
UUAVEVPECFBWHW-FJYQEEKISA-N
Compound name
(E)-3-[4-(dimethylaminodiazenyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 148.0
[M+Na]+ 242.08999 154.0
[M-H]- 218.09349 154.4
[M+NH4]+ 237.13459 166.7
[M+K]+ 258.06393 153.6
[M+H-H2O]+ 202.09803 140.3
[M+HCOO]- 264.09897 177.0
[M+CH3COO]- 278.11462 200.4
[M+Na-2H]- 240.07544 153.8
[M]+ 219.10022 149.8
[M]- 219.10132 149.8
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

No patent data available for this compound.