CID 379827

Nsc664957

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CN(C)C=NCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H14N2O2/c1-13(2)7-12-6-9-3-4-10-11(5-9)15-8-14-10/h3-5,7H,6,8H2,1-2H3
InChIKey
YVOAEGCEWBVMNH-UHFFFAOYSA-N
Compound name
N'-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.6
[M+Na]+ 229.09475 152.6
[M-H]- 205.09825 153.9
[M+NH4]+ 224.13935 165.5
[M+K]+ 245.06869 154.1
[M+H-H2O]+ 189.10279 139.1
[M+HCOO]- 251.10373 171.4
[M+CH3COO]- 265.11938 194.7
[M+Na-2H]- 227.08020 153.7
[M]+ 206.10498 149.5
[M]- 206.10608 149.5
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.