CID 3059541

P-toluic acid, 3-(3,3-dimethyltriazeno)-, methyl ester

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)OC)N=NN(C)C
InChI
InChI=1S/C11H15N3O2/c1-8-5-6-9(11(15)16-4)7-10(8)12-13-14(2)3/h5-7H,1-4H3
InChIKey
ZCQAITZVDDTPAL-UHFFFAOYSA-N
Compound name
methyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 148.7
[M+Na]+ 244.105638 155.8
[M-H]- 220.109144 156.9
[M+NH4]+ 239.150243 168.5
[M+K]+ 260.079578 157.0
[M+H-H2O]+ 204.113680 141.0
[M+HCOO]- 266.114621 179.0
[M+CH3COO]- 280.130271 205.0
[M+Na-2H]- 242.091086 154.2
[M]+ 221.11587142 153.5
[M]- 221.11696858 153.5
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.