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]+ 220.108046 148.0
[M+Na]+ 242.089988 154.0
[M-H]- 218.093494 154.4
[M+NH4]+ 237.134593 166.7
[M+K]+ 258.063928 153.6
[M+H-H2O]+ 202.098030 140.3
[M+HCOO]- 264.098971 177.0
[M+CH3COO]- 278.114621 200.4
[M+Na-2H]- 240.075436 153.8
[M]+ 219.10022142 149.8
[M]- 219.10131858 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.