CID 10986282

4-(methylamino)benzaldehyde hydrochloride

Structural Information

Molecular Formula
C8H9NO
SMILES
CNC1=CC=C(C=C1)C=O
InChI
InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
InChIKey
ZRKUQAXOMUSPEH-UHFFFAOYSA-N
Compound name
4-(methylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

135.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.7
[M+Na]+ 158.057638 132.9
[M-H]- 134.061144 128.8
[M+NH4]+ 153.102243 146.5
[M+K]+ 174.031578 131.1
[M+H-H2O]+ 118.065680 119.2
[M+HCOO]- 180.066621 151.1
[M+CH3COO]- 194.082271 175.3
[M+Na-2H]- 156.043086 133.1
[M]+ 135.06787142 124.6
[M]- 135.06896858 124.6
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