CID 54143

78186-61-5

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1(OC2=CC=CC=C2O1)NC
InChI
InChI=1S/C9H11NO2/c1-9(10-2)11-7-5-3-4-6-8(7)12-9/h3-6,10H,1-2H3
InChIKey
BENCWQHCLNLFLM-UHFFFAOYSA-N
Compound name
N,2-dimethyl-1,3-benzodioxol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 131.1
[M+Na]+ 188.06820 140.1
[M-H]- 164.07170 137.4
[M+NH4]+ 183.11280 153.9
[M+K]+ 204.04214 140.7
[M+H-H2O]+ 148.07624 126.6
[M+HCOO]- 210.07718 154.5
[M+CH3COO]- 224.09283 178.7
[M+Na-2H]- 186.05365 141.7
[M]+ 165.07843 133.2
[M]- 165.07953 133.2
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.