CID 3870219

(4-ethylphenyl)methanamine

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1=CC=C(C=C1)CN
InChI
InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7,10H2,1H3
InChIKey
DGAGEFUEKIORSQ-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1587
Patents

135.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 127.9
[M+Na]+ 158.09402 135.5
[M-H]- 134.09752 131.3
[M+NH4]+ 153.13862 149.6
[M+K]+ 174.06796 133.2
[M+H-H2O]+ 118.10206 122.5
[M+HCOO]- 180.10300 153.0
[M+CH3COO]- 194.11865 176.6
[M+Na-2H]- 156.07947 134.8
[M]+ 135.10425 126.5
[M]- 135.10535 126.5
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