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]+ 264.170676 162.8
[M+Na]+ 286.152618 168.6
[M-H]- 262.156124 170.4
[M+NH4]+ 281.197223 180.8
[M+K]+ 302.126558 169.0
[M+H-H2O]+ 246.160660 154.4
[M+HCOO]- 308.161601 192.0
[M+CH3COO]- 322.177251 214.1
[M+Na-2H]- 284.138066 166.7
[M]+ 263.16285142 168.7
[M]- 263.16394858 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.