CID 15792912

3-(aminomethyl)benzaldehyde hydrochloride

Structural Information

Molecular Formula
C8H9NO
SMILES
C1=CC(=CC(=C1)C=O)CN
InChI
InChI=1S/C8H9NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5,9H2
InChIKey
GUCBUVXBLCUMPZ-UHFFFAOYSA-N
Compound name
3-(aminomethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

135.06842 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 125.3
[M+Na]+ 158.05764 133.5
[M-H]- 134.06114 128.9
[M+NH4]+ 153.10224 146.8
[M+K]+ 174.03158 131.4
[M+H-H2O]+ 118.06568 119.8
[M+HCOO]- 180.06662 151.1
[M+CH3COO]- 194.08227 174.6
[M+Na-2H]- 156.04309 132.7
[M]+ 135.06787 124.2
[M]- 135.06897 124.2
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