CID 3059543

76765-23-6

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCCCOC(=O)C1=CC(=C(C=C1)C)N=NN(C)C
InChI
InChI=1S/C14H21N3O2/c1-5-6-9-19-14(18)12-8-7-11(2)13(10-12)15-16-17(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKey
CVAOEYGITNFKTR-UHFFFAOYSA-N
Compound name
butyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 162.8
[M+Na]+ 286.15262 168.6
[M-H]- 262.15612 170.4
[M+NH4]+ 281.19722 180.8
[M+K]+ 302.12656 169.0
[M+H-H2O]+ 246.16066 154.4
[M+HCOO]- 308.16160 192.0
[M+CH3COO]- 322.17725 214.1
[M+Na-2H]- 284.13807 166.7
[M]+ 263.16285 168.7
[M]- 263.16395 168.7
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.