CID 374077

Nsc651337

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)OCC(C)C)N=NN(C)C
InChI
InChI=1S/C14H21N3O2/c1-10(2)9-19-14(18)12-7-6-11(3)13(8-12)15-16-17(4)5/h6-8,10H,9H2,1-5H3
InChIKey
ZTXLGUQTRAMUDP-UHFFFAOYSA-N
Compound name
2-methylpropyl 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 163.3
[M+Na]+ 286.15262 172.8
[M+NH4]+ 281.19722 170.0
[M+K]+ 302.12656 167.5
[M-H]- 262.15612 166.7
[M+Na-2H]- 284.13807 168.8
[M]+ 263.16285 165.3
[M]- 263.16395 165.3
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.