CID 12628890

(2-ethylphenyl)methanamine

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1=CC=CC=C1CN
InChI
InChI=1S/C9H13N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7,10H2,1H3
InChIKey
JPYXQNWIQIBLJT-UHFFFAOYSA-N
Compound name
(2-ethylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
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

No literature data available for this compound.

Patent stripe

patents stripe