CID 233317

2,2-dimethyl-2h-1,3-benzodioxol-5-amine

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1(OC2=C(O1)C=C(C=C2)N)C
InChI
InChI=1S/C9H11NO2/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h3-5H,10H2,1-2H3
InChIKey
IFQXAAQXRCQINZ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
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 131.6
[M+Na]+ 188.06820 141.5
[M-H]- 164.07170 137.8
[M+NH4]+ 183.11280 154.4
[M+K]+ 204.04214 141.7
[M+H-H2O]+ 148.07624 127.4
[M+HCOO]- 210.07718 154.3
[M+CH3COO]- 224.09283 179.2
[M+Na-2H]- 186.05365 140.5
[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

literature stripe

Patent stripe

patents stripe