CID 135531459

Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime

Structural Information

Molecular Formula
C9H9N3O
SMILES
CN1C2=CC=CC=C2N=C1/C=N/O
InChI
InChI=1S/C9H9N3O/c1-12-8-5-3-2-4-7(8)11-9(12)6-10-13/h2-6,13H,1H3/b10-6+
InChIKey
STCMGNHRWNCRBV-UXBLZVDNSA-N
Compound name
(NE)-N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

175.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 133.6
[M+Na]+ 198.063768 144.9
[M-H]- 174.067274 136.6
[M+NH4]+ 193.108373 154.4
[M+K]+ 214.037708 141.7
[M+H-H2O]+ 158.071810 126.6
[M+HCOO]- 220.072751 159.3
[M+CH3COO]- 234.088401 181.4
[M+Na-2H]- 196.049216 142.5
[M]+ 175.07400142 136.3
[M]- 175.07509858 136.3
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