CID 34042

Safrazine

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(CCC1=CC2=C(C=C1)OCO2)NN
InChI
InChI=1S/C11H16N2O2/c1-8(13-12)2-3-9-4-5-10-11(6-9)15-7-14-10/h4-6,8,13H,2-3,7,12H2,1H3
InChIKey
IBWPUTAKVGZXRB-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)butan-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

1091
Patents

208.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.1
[M+Na]+ 231.11041 153.0
[M-H]- 207.11391 152.1
[M+NH4]+ 226.15501 165.3
[M+K]+ 247.08435 152.9
[M+H-H2O]+ 191.11845 140.9
[M+HCOO]- 253.11939 169.1
[M+CH3COO]- 267.13504 190.5
[M+Na-2H]- 229.09586 153.4
[M]+ 208.12064 147.2
[M]- 208.12174 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe