CID 3059545

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

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)OCCC(C)C)N=NN(C)C
InChI
InChI=1S/C15H23N3O2/c1-11(2)8-9-20-15(19)13-7-6-12(3)14(10-13)16-17-18(4)5/h6-7,10-11H,8-9H2,1-5H3
InChIKey
ODKFIZVCHXTWLK-UHFFFAOYSA-N
Compound name
3-methylbutyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 167.7
[M+Na]+ 300.16824 177.0
[M+NH4]+ 295.21284 174.3
[M+K]+ 316.14218 171.5
[M-H]- 276.17174 171.0
[M+Na-2H]- 298.15369 173.0
[M]+ 277.17847 169.6
[M]- 277.17957 169.6
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.