CID 145679

Benzenamine, n-hydroxy-2,6-dimethyl-

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C(=CC=C1)C)NO
InChI
InChI=1S/C8H11NO/c1-6-4-3-5-7(2)8(6)9-10/h3-5,9-10H,1-2H3
InChIKey
YFVSZHCWKQTSGT-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

27
Patents

137.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.3
[M+Na]+ 160.073278 134.8
[M-H]- 136.076784 129.4
[M+NH4]+ 155.117883 147.7
[M+K]+ 176.047218 132.7
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 151.0
[M+CH3COO]- 196.097911 174.7
[M+Na-2H]- 158.058726 133.5
[M]+ 137.08351142 125.5
[M]- 137.08460858 125.5
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