CID 577403

N-methyl-1-phenylethanamine

Structural Information

Molecular Formula
C9H13N
SMILES
CC(C1=CC=CC=C1)NC
InChI
InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
RCSSHZGQHHEHPZ-UHFFFAOYSA-N
Compound name
N-methyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1991
Patents

135.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 128.4
[M+Na]+ 158.09402 134.7
[M-H]- 134.09752 132.0
[M+NH4]+ 153.13862 149.9
[M+K]+ 174.06796 133.2
[M+H-H2O]+ 118.10206 122.7
[M+HCOO]- 180.10300 153.0
[M+CH3COO]- 194.11865 177.0
[M+Na-2H]- 156.07947 135.7
[M]+ 135.10425 126.9
[M]- 135.10535 126.9
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