CID 42625593

943752-16-7

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C=C(C=C1)CN)O
InChI
InChI=1S/C8H11NO/c1-6-2-3-7(5-9)4-8(6)10/h2-4,10H,5,9H2,1H3
InChIKey
AZKONRUAAUIJMI-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.8
[M+Na]+ 160.07328 139.2
[M+NH4]+ 155.11788 135.7
[M+K]+ 176.04722 133.2
[M-H]- 136.07678 129.5
[M+Na-2H]- 158.05873 133.7
[M]+ 137.08351 129.2
[M]- 137.08461 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe