CID 6904185

14683-79-5

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=CC=CC=C1/C=N/O
InChI
InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)6-9-10/h2-6,10H,1H3/b9-6+
InChIKey
ARLLNMVPNCXCIM-RMKNXTFCSA-N
Compound name
(NE)-N-[(2-methylphenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

108
Patents

135.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.9
[M+Na]+ 158.057638 133.2
[M-H]- 134.061144 129.1
[M+NH4]+ 153.102243 146.8
[M+K]+ 174.031578 131.5
[M+H-H2O]+ 118.065680 119.4
[M+HCOO]- 180.066621 151.3
[M+CH3COO]- 194.082271 174.6
[M+Na-2H]- 156.043086 133.4
[M]+ 135.06787142 124.8
[M]- 135.06896858 124.8
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